C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)

mankhwala

C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)

Zambiri Zoyambira:


Tsatanetsatane wa Zamalonda

Zolemba Zamalonda

Thupi katundu

Zofunika Zathupi Mtengo Mkhalidwe
Kulemera kwa Maselo 397.43 -
Boiling Point (Zonenedweratu) 671.5±55.0 °C Press: 760 Torr
Kachulukidwe (Zonenedweratu) 1.316±0.06 g/cm3 Kutentha: 20 ° C;Press: 760 Torr
pKa (Zonenedweratu) 3.84±0.21 Kutentha Kwambiri kwa Acid: 25 ° C

Mayina Ena ndi Zizindikiritso

Canonical AMAmwetulira O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N

Isomeric SMILES C(OC(N[C@@H](CCCNC(N)=O)C(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2

InChi

InChI=1S/C21H23N3O5/c22-20(27)23-11-5-10-18(19(25)26)24-21(28)29-12-17-15-8-3-1-6- 13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H, 5,10-12H2,(H,24,28)(H,25, 26)(H3,22,23,27)/t18-/m0/s1

InChi Key

NBMSMZSRTIOFOK-SFHVURJKSA-N

6 Mayina ena a chinthu ichi

N5-(Aminocarbonyl)-N2- [(9H-fluoren-9-ylmethoxy) carbonyl] -L-ornithine (ACI);(2S) -5-(Carbamoylamino)-2-(9H-fluoren-9-ylmethox ycarbonylamino) asidi pentanoic;(2S) -5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)pentanoic acid;218: PN: U S20070042401 TSAMBA: 29 ankafuna mapuloteni;909: PN: WO2006135786 TSAMBA: 59 ankafuna mapuloteni;Fmoc-L-Citrulline

Experimental Spectra

Spectra ilipo
1H NMR
13C NMR
Misa

Zonenedweratu Katundu

Katundu zilipo
Zachilengedwe
Chemical
Kuchulukana
Lipinski
Zogwirizana ndi Kapangidwe
Kutentha

Zachilengedwe

Katundu Mtengo Mkhalidwe Gwero
Bioconcentration Factor 54.3 pH 1;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 52.8 pH 2;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 40.0 pH 3;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 11.7 pH 4;Kutentha: 25 ° C (1) ACD
Bioconcentration Factor 1.45 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 606 pH 1;Kutentha: 25 ° C (1) ACD
Koc 589 pH 2;Kutentha: 25 ° C (1) ACD
Koc 446 pH 3;Kutentha: 25 ° C (1) ACD
Koc 130 pH 4;Kutentha: 25 ° C (1) ACD
Koc 16.2 pH 5;Kutentha: 25 ° C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
Koc 1.76 pH 6;Kutentha: 25 ° C (1) ACD
Koc 1.0 pH 7;Kutentha: 25 ° C (1) ACD
Koc 1.0 pH 8;Kutentha: 25 ° C (1) ACD
Koc 1.0 pH 9;Kutentha: 25 ° C (1) ACD
Koc 1.0 pH 10;Kutentha: 25 ° C (1) ACD
logD 2.59 pH 1;Kutentha: 25 ° C (1) ACD
logD 2.57 pH 2;Kutentha: 25 ° C (1) ACD
logD 2.45 pH 3;Kutentha: 25 ° C (1) ACD
logD 1.92 pH 4;Kutentha: 25 ° C (1) ACD
logD 1.01 pH 5;Kutentha: 25 ° C (1) ACD
logD 0.05 pH 6;Kutentha: 25 ° C (1) ACD
logD -0.76 pH 7;Kutentha: 25 ° C (1) ACD
logD -1.10 pH 8;Kutentha: 25 ° C (1) ACD
logD -1.15 pH 9;Kutentha: 25 ° C (1) ACD
logD -1.16 pH 10;Kutentha: 25 ° C (1) ACD
logP 2.591±0.426 Kutentha: 25 ° C (1) ACD
Mass Intrinsic Solubility 4.8 x 10-3 g/L Kutentha: 25 ° C (1) ACD
Misa Solubility 4.8 x 10-3 g/L pH 1;Kutentha: 25 ° C (1) ACD
Misa Solubility 5.2 x 10-3 g/L pH 2;Kutentha: 25 ° C (1) ACD
Misa Solubility 6.8 x 10-3 g/L pH 3;Kutentha: 25 ° C (1) ACD
Misa Solubility 0.023 g/L pH 4;Kutentha: 25 ° C (1) ACD
Misa Solubility 0.18g/L pH 5;Kutentha: 25 ° C (1) ACD
Misa Solubility 1.7g/L pH 6;Kutentha: 25 ° C (1) ACD
Misa Solubility 11 g/l pH 7;Kutentha: 25 ° C (1) ACD
Misa Solubility 23g/l pH 8;Kutentha: 25 ° C (1) ACD
Misa Solubility 27g/l pH 9;Kutentha: 25 ° C (1) ACD
Misa Solubility 27g/l pH 10;Kutentha: 25 ° C (1) ACD
Misa Solubility 0.032 g/L Madzi Osasunthika pH 4.18;Kutentha: 25 ° C (1) ACD
Molar Intrinsic Solubility 1.2 x 10-5 mol / L Kutentha: 25 ° C (1) ACD
Molar Solubility 1.2 x 10-5 mol / L pH 1;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.3 x 10-5 mol / L pH 2;Kutentha: 25 ° C (1) ACD
Molar Solubility 1.7 x 10-5 mol / L pH 3;Kutentha: 25 ° C (1) ACD

 

Katundu Mtengo Mkhalidwe Gwero
Molar Solubility 5.7 x 10-5 mol / L pH 4;Kutentha: 25 ° C (1) ACD
Molar Solubility 4.6 x 10-4 mol / L pH 5;Kutentha: 25 ° C (1) ACD
Molar Solubility 4.2 x 10-3 mol / L pH 6;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.027 mol / L pH 7;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.059 mol / L pH 8;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.067 mol / L pH 9;Kutentha: 25 ° C (1) ACD
Molar Solubility 0.068 mol / L pH 10;Kutentha: 25 ° C (1) ACD
Molar Solubility 8.0 x 10-5 mol / L Madzi Osasunthika pH 4.18;Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 397.43    
pKa 3.84±0.21 Kutentha Kwambiri kwa Acid: 25 ° C (1) ACD
pKa -0.21±0.70 Kutentha Kwambiri Kwambiri: 25 °C (1) ACD
Kuthamanga kwa Vapor 6.01 x 10-19 Wolemba 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 1.316±0.06 g/cm3 Kutentha: 20 ° C;Press: 760 Torr (1) ACD
Molar Volume 301.8±3.0cm3/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 9   (1) ACD
H Olandira 8   (1) ACD
H Opereka 5   (1) ACD
H Chiwerengero cha Wopereka / Wolandira 13   (1) ACD
logP 2.591±0.426 Kutentha: 25 ° C (1) ACD
Kulemera kwa Maselo 397.43    

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

Zogwirizana ndi Kapangidwe

Katundu Mtengo

Mkhalidwe

Gwero
Malo a Polar Surface 131 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 671.5±55.0 °C Press: 760 Torr (1) ACD
Enthalpy ya vaporization 103.64±3.0 kJ/mol Press: 760 Torr (1) ACD
Pophulikira 359.9±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
13C NMR

Information Regulatory

Mndandanda Woyang'anira: IECSC, TCSI, VNECI Zachinsinsi Zabizinesi: Pagulu

Mawu ofanana ndi malamulo
Fmoc-L-2-amino-5-ureido-n-valeric asidi Mtengo wa IECSC

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L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- TCSI, VNECI

-

Tsatanetsatane ndi Dziko/ Mayiko & Mindandanda Ina Yadziko/Chigawo Zomwe Zilipo

China Chidule

Inventory Status pa IECSC

Mndandanda wa Zinthu Zamankhwala Zomwe Zilipo ku China Mayina (ma): Fmoc-L-2-amino-5-ureido-n-valeric acid

Chidule cha Taiwan

Mkhalidwe wa Inventory pa TCSI Taiwan Government Gazette

Viet Nam Summary

Inventory Status pa VNECI

Vietnam Draft National Chemical Inventory


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