C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-imodzi, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)

mankhwala

C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-imodzi, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)

Zambiri Zoyambira:


Tsatanetsatane wa Zamalonda

Zolemba Zamalonda

Tsatanetsatane wa Mankhwala

Nambala ya Registry ya CAS

3736-77-4

Zofunika Zathupi Mtengo Mkhalidwe
Kulemera kwa Maselo 226.19 -
Melting Point (Zoyeserera) 234-235 ° C -
Boiling Point (Zonenedweratu) 456.3±55.0 °C Press: 760 Torr
Kachulukidwe (Zonenedweratu) 2.01±0.1 g/cm3 Kutentha: 20 ° C;Press: 760 Torr
pKa (Zonenedweratu) 12.55±0.40 Kutentha Kwambiri kwa Acid: 25 ° C

Mayina Ena ndi Zizindikiritso

Canonical SMILES
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
Isomeric AMAmwetulira
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)[H])[H]
InChi
InChI= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4, 6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
InChi Key
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Maina ena a chinthu ichi
(2R,3 R,3aS,9aR) -2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-6H-furo[2′,3′:4,5]oxazolo[3,2] -a]pyrimidin-6-imodzi (ACI);6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI , 7CI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, [ 2R-(2α,3β,3aβ,9aβ)]- (ZCI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a]

pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl)-, stereoisomer (8CI);2,2′ -Anhydro(1- β -D-arabinofuranosyl)uracil;2,2' -Anhydro-1- β -D-arabino-furanosyluracil;2,2′ -Anhydro-N1-(β -D-arabinofuranosyl)uracil;2,2'-Anhydrouridine;2,2' -O-Cyclouridine;NSC 157148;O2,2' -Anhydrouridine;O2,2'-Cyclouridine;β -D-2',2-O-Cycloarabinouridine

Zoyeserera

Katundu zilipo
Kuwala ndi Kubalalika
Kutentha

Optical ndi Scatering

Katundu Mtengo Mkhalidwe Gwero
Mphamvu Yozungulira ya Optical -19 deg Zosungunulira: Methanol;: 589.3 nm;Kutentha: 26 ° C (1) CAS

(1) Codington, John F.;Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus

Kutentha

Katundu Mtengo Mkhalidwe Gwero
Melting Point 250-253 ° C   (1) CAS
Melting Point 246 ° C Zosungunulira: Ethanol;Isopropanol (2) CAS
Melting Point 242-245 ° C   (3) CAS
Melting Point 242-243 ° C   (4) CAS
Melting Point 236-238 ° C (kuwonongeka)   (5) CAS
Melting Point 234 ° C   (6) CAS
Melting Point 234-235 ° C   (7) CAS
Melting Point 233-234 ° C (kuwonongeka) Zosungunulira: Methanol (8) CAS
Melting Point Onani Mawu Onse   (9) CAS

(1) Lin, Kun-I.;Journal of the Chinese Chemical Society (Taipei, Taiwan), (2007), 54 (2), 563-568, CAplus

(2) Takatsuki, Ken-ichi;Nucleosides, Nucleotides & Nucleic Acids, (2006), 25 (7), 719-734, CAplus

(3) Wnuk, Stanislaw F.;Journal of Organic Chemistry, (2002), 67 (6), 1816-1819, CAplus

(4) Szlenkier, Maurycy;Nucleosides, Nucleotides & Nucleic Acids, (2016), 35 (8), 410-425, CAplus

(5) Marumoto, Ryuji;Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus

(6) Krizmanic, Irena;Tetrahedron, (2003), 59(23), 4047-4057, CAPlus

(7) Brown, DM;Journal of the Chemical Society, (1958), 3035-8, CAplus

(8) Li, Heting;Synthetic Communications, (2006), 36 (14), 1933-1940, CAPlus

(9) Codington, John F.;Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus

Experimental Spectra

Spectra ilipo
1H NMR
13 C NMR
IR
Spectra ilipo
Misa

Zonenedweratu Katundu

Katundu zilipo
Zachilengedwe
Chemical
Kuchulukana
Lipinski
Zogwirizana ndi Kapangidwe
Kutentha

Zachilengedwe

Katundu Mtengo Mkhalidwe Gwero
Bioconcentration Factor 1.0 pH 1;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 2;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 3;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 4;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 5;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 6;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 7;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 8;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 9;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 10;Kutentha: 25 ° C (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Katundu Mtengo Mkhalidwe Gwero
Koc 7.66 pH 1;Kutentha: 25 ° C (1) ACD
Koc 7.66 pH 2;Kutentha: 25 ° C (1) ACD
Koc 7.66 pH 3;Kutentha: 25 ° C (1) ACD
Koc 7.66 pH 4;Kutentha: 25 ° C (1) ACD
Koc 7.66 pH 5;Kutentha: 25 ° C (1) ACD
Koc 7.66 pH 6;Kutentha: 25 ° C (1) ACD
Koc 7.66 pH 7;Kutentha: 25 ° C (1) ACD
Koc 7.66 pH 8;Kutentha: 25 ° C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
Koc 7.66 pH 9;Kutentha: 25 ° C (1) ACD
Koc 7.64 pH 10;Kutentha: 25 ° C (1) ACD
logD -0.91 pH 1;Kutentha: 25 ° C (1) ACD
logD -0.91 pH 2;Kutentha: 25 ° C (1) ACD
logD -0.91 pH 3;Kutentha: 25 ° C (1) ACD
logD -0.91 pH 4;Kutentha: 25 ° C (1) ACD
logD -0.91 pH 5;Kutentha: 25 ° C (1) ACD
logD -0.91 pH 6;Kutentha: 25 ° C (1) ACD
logD -0.91 pH 7;Kutentha: 25 ° C (1) ACD
logD -0.91 pH 8;Kutentha: 25 ° C (1) ACD
logD -0.91 pH 9;Kutentha: 25 ° C (1) ACD
logD -0.91 pH 10;Kutentha: 25 ° C (1) ACD
logP -0.906±0.555 Kutentha: 25 ° C (1) ACD
Mass Intrinsic Solubility 4.7g/l Kutentha: 25 ° C (1) ACD
Misa Solubility 4.7g/l pH 1;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.7g/l pH 2;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.7g/l pH 3;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.7g/l pH 4;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.7g/l pH 5;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.7g/l pH 6;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.7g/l pH 7;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.7g/l pH 8;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.7g/l pH 9;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.7g/l pH 10;Kutentha: 25 ° C (1) ACD
Misa Solubility 4.7g/l Madzi Osasunthika pH 6.91;Kutentha: 25 ° C (1) ACD
Molar Intrinsic Solubility 0.021 mol / L Kutentha: 25 ° C (1) ACD
Molar Solubility 0.021 mol / L pH 1;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.021 mol / L pH 2;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.021 mol / L pH 3;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.021 mol / L pH 4;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.021 mol / L pH 5;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.021 mol / L pH 6;Kutentha: 25 ° C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
Molar Solubility 0.021 mol / L pH 7;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.021 mol / L pH 8;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.021 mol / L pH 9;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.021 mol / L pH 10;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.021 mol / L Madzi Osasunthika pH 6.91;Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 226.19    
pKa 12.55±0.40 Kutentha Kwambiri kwa Acid: 25 ° C (1) ACD
pKa -4.68±0.60 Kutentha Kwambiri Kwambiri: 25 °C (1) ACD
Kuthamanga kwa Vapor 3.04 x 10-10 Kutentha: 25 ° C (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kuchulukana

Katundu Mtengo Mkhalidwe Gwero
Kuchulukana 2.01±0.1 g/cm3 Kutentha: 20 ° C;Press: 760 Torr (1) ACD
Molar Volume 112.3±7.0cm3/mol Kutentha: 20 ° C;Press: 760 Torr (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Katundu Mtengo Mkhalidwe Gwero
Ma Bond Osinthasintha Mwaulere 3 (1) ACD
H Olandira 7 (1) ACD
H Opereka 2 (1) ACD
H Chiwerengero cha Wopereka / Wolandira 9 (1) ACD
logP -0.906±0.555 Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 226.19

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Zogwirizana ndi Kapangidwe

Katundu Mtengo Condition Source
Malo a Polar Surface 91.6 A2 (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kutentha

Katundu Mtengo Mkhalidwe Gwero
Boiling Point 456.3±55.0 °C Press: 760 Torr (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
Enthalpy ya vaporization 82.62±6.0 kJ/mol Press: 760 Torr (1) ACD
Pophulikira 229.8±31.5 °C   (1) ACD

(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Zoneneratu za Spectra

Spectra ilipo
1H NMR
13 C NMR

Zowopsa za GHS

Gwero la Chidziwitso Chowopsa cha Code
H302 Zowopsa ngati zitamezedwa European Chemical Agency (ECHA) Classification & Labelling

Inventory - Gulu lodziwitsidwa ndi zilembo - zidziwitso zodziwika bwino, European Chemical Agency (ECHA)

Classification&Labelling Inventory - Gulu lodziwitsidwa ndi kulemba - zidziwitso zazikulu kwambiri


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