C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9CI, ACI)

Zambiri Zoyambira:

Titumizireni imelo

Tsatanetsatane wa Zamalonda

Zolemba Zamalonda

Thupi katundu

Zofunika Zathupi	Mtengo	Mkhalidwe
Kulemera kwa Maselo	339.39	-
Boiling Point (Zonenedweratu)	549.8±40.0 °C	Press: 760 Torr
Kachulukidwe (Zonenedweratu)	1.318±0.06 g/cm3	Kutentha: 20 ° C;Press: 760 Torr
pKa (Zonenedweratu)	14.53±0.40	Kutentha Kwambiri kwa Acid: 25 ° C

Mayina Ena ndi Zizindikiritso

Canonical AMAmwetulira O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
Isomeric SMILES C(OC(=O)N1[C@H](CO)C[C@@H](O)C1)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChi
InChI=1S/C20H21NO4/c22-11-13-9-14(23)10-21(13)20(24)25-12-19-17-7-3-1-5-15(17)16- 6-2-4-8-18(16)19/h1-8,13-14,19,22-23H,9-12
H2/t13-,14+/m0/s1
InChi Key
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Maina ena a chinthu ichi
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2- (hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S-trans)- (ZCI);9H-Fluoren-9-ylmethyl (2S, 4R) -4-hydroxy-2- (hydroxymethyl) -1-pyrrolidinecarboxylate (ACI);(3R,5S)-N-Fmoc-3-Hydroxypyrrolidine-5-Methanol

Zonenedweratu Katundu

Katundu zilipo

Zachilengedwe

Chemical

Kuchulukana

Lipinski

Zogwirizana ndi Kapangidwe

Kutentha

Zachilengedwe

Katundu	Mtengo	Mkhalidwe	Gwero
Bioconcentration Factor	49.6	pH 1;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 2;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 3;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 4;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 5;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 6;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 7;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 8;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 9;Kutentha: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 10;Kutentha: 25 ° C	(1) ACD

Chemical

Katundu	Mtengo	Mkhalidwe	Gwero
Koc	569	pH 1;Kutentha: 25 ° C	(1) ACD
Koc	569	pH 2;Kutentha: 25 ° C	(1) ACD
Koc	569	pH 3;Kutentha: 25 ° C	(1) ACD
Koc	569	pH 4;Kutentha: 25 ° C	(1) ACD
Koc	569	pH 5;Kutentha: 25 ° C	(1) ACD
Koc	569	pH 6;Kutentha: 25 ° C	(1) ACD
Koc	569	pH 7;Kutentha: 25 ° C	(1) ACD
Koc	569	pH 8;Kutentha: 25 ° C	(1) ACD
Koc	569	pH 9;Kutentha: 25 ° C	(1) ACD
Koc	569	pH 10;Kutentha: 25 ° C	(1) ACD

Katundu	Mtengo	Mkhalidwe	Gwero
logD	2.53	pH 1;Kutentha: 25 ° C	(1) ACD
logD	2.53	pH 2;Kutentha: 25 ° C	(1) ACD
logD	2.53	pH 3;Kutentha: 25 ° C	(1) ACD
logD	2.53	pH 4;Kutentha: 25 ° C	(1) ACD
logD	2.53	pH 5;Kutentha: 25 ° C	(1) ACD
logD	2.53	pH 6;Kutentha: 25 ° C	(1) ACD
logD	2.53	pH 7;Kutentha: 25 ° C	(1) ACD
logD	2.53	pH 8;Kutentha: 25 ° C	(1) ACD
logD	2.53	pH 9;Kutentha: 25 ° C	(1) ACD
logD	2.53	pH 10;Kutentha: 25 ° C	(1) ACD
logP	2.534±0.636	Kutentha: 25 ° C	(1) ACD
Mass Intrinsic Solubility	0.078 g/L	Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.078 g/L	pH 1;Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.078 g/L	pH 2;Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.078 g/L	pH 3;Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.078 g/L	pH 4;Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.078 g/L	pH 5;Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.078 g/L	pH 6;Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.078 g/L	pH 7;Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.078 g/L	pH 8;Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.078 g/L	pH 9;Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.078 g/L	pH 10;Kutentha: 25 ° C	(1) ACD
Misa Solubility	0.078 g/L	Madzi Osasunthika pH 7.00;Kutentha: 25 ° C	(1) ACD
Molar Intrinsic Solubility	2.3 x 10-4 mol / L	Kutentha: 25 ° C	(1) ACD
Molar Solubility	2.3 x 10-4 mol / L	pH 1;Kutentha: 25 ° C	(1) ACD
Molar Solubility	2.3 x 10-4 mol / L	pH 2;Kutentha: 25 ° C	(1) ACD
Molar Solubility	2.3 x 10-4 mol / L	pH 3;Kutentha: 25 ° C	(1) ACD
Molar Solubility	2.3 x 10-4 mol / L	pH 4;Kutentha: 25 ° C	(1) ACD
Molar Solubility	2.3 x 10-4 mol / L	pH 5;Kutentha: 25 ° C	(1) ACD
Molar Solubility	2.3 x 10-4 mol / L	pH 6;Kutentha: 25 ° C	(1) ACD
Molar Solubility	2.3 x 10-4 mol / L	pH 7;Kutentha: 25 ° C	(1) ACD
Molar Solubility	2.3 x 10-4 mol / L	pH 8;Kutentha: 25 ° C	(1) ACD

Katundu	Mtengo	Mkhalidwe	Gwero
Molar Solubility	2.3 x 10-4 mol / L	pH 9;Kutentha: 25 ° C	(1) ACD
Molar Solubility	2.3 x 10-4 mol / L	pH 10;Kutentha: 25 ° C	(1) ACD
Molar Solubility	2.3 x 10-4 mol / L	Madzi Osasunthika pH 7.00;Kutentha: 25 ° C	(1) ACD
Kulemera kwa Maselo	339.39
pKa	14.53±0.40	Kutentha Kwambiri kwa Acid: 25 ° C	(1) ACD
pKa	-3.10±0.60	Kutentha Kwambiri Kwambiri: 25 °C	(1) ACD
Kuthamanga kwa Vapor	6.35 x 10-13 torr	Kutentha: 25 ° C	(1) ACD

Kuchulukana

Katundu	Mtengo	Mkhalidwe	Gwero
Kuchulukana	1.318±0.06 g/cm3	Kutentha: 20 ° C;Press: 760 Torr	(1) ACD
Molar Volume	257.3±3.0cm3/mol	Kutentha: 20 ° C;Press: 760 Torr	(1) ACD

Lipinski

Katundu	Mtengo	Mkhalidwe	Gwero
Ma Bond Osinthasintha Mwaulere	6		(1) ACD
H Olandira	5		(1) ACD
H Opereka	2		(1) ACD
H Chiwerengero cha Wopereka / Wolandira	7		(1) ACD
logP	2.534±0.636	Kutentha: 25 ° C	(1) ACD
Kulemera kwa Maselo	339.39

Zogwirizana ndi Kapangidwe

Katundu	Mtengo	Mkhalidwe	Gwero
Malo a Polar Surface	70.0 A2	(1) ACD

Kutentha

Katundu	Mtengo	Mkhalidwe	Gwero
Boiling Point	549.8±40.0 °C	Press: 760 Torr	(1) ACD
Enthalpy ya vaporization	87.32±3.0 kJ/mol	Press: 760 Torr	(1) ACD
Pophulikira	286.3±27.3 °C		(1) ACD