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

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

Amakuru y'ibanze:

Ohereza imeri kuri twe

Ibicuruzwa birambuye

Ibicuruzwa

Imiterere yumubiri

Ibyingenzi Byumubiri	Agaciro	Imiterere
Uburemere bwa molekile	339.39	-
Ingingo yo guteka (Biteganijwe)	549.8 ± 40.0 ° C.	Kanda: 760 Torr
Ubucucike (Biteganijwe)	1.318 ± 0.06 g / cm3	Ubushyuhe: 20 ° C;Kanda: 760 Torr
pKa (Byahanuwe)	14.53 ± 0.40	Ubushyuhe bwinshi bwa Acide: 25 ° C.

Andi mazina nibiranga

Urwenya rwa Canonical O = C (OCC1C = 2C = CC = CC2C = 3C = CC = CC31) N4CC (O) CC4CO
SMILES Isomeric 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 Urufunguzo
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Andi mazina kuriyi ngingo
1-Acide ya Pyrrolidinecarboxylic, 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

Ibintu Byateganijwe

Ibyiza birahari

Ibinyabuzima

Imiti

Ubucucike

Lipinski

Imiterere ijyanye

Ubushyuhe

Ibinyabuzima

Umutungo	Agaciro	Imiterere	Inkomoko
Ikintu cya Bioconcentration	49.6	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	49.6	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	49.6	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	49.6	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	49.6	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	49.6	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	49.6	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	49.6	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	49.6	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Ikintu cya Bioconcentration	49.6	pH 10;Ubushyuhe: 25 ° C.	(1) ACD

Imiti

Umutungo	Agaciro	Imiterere	Inkomoko
Koc	569	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Koc	569	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Koc	569	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Koc	569	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Koc	569	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Koc	569	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Koc	569	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Koc	569	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Koc	569	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Koc	569	pH 10;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
logD	2.53	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
logD	2.53	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
logD	2.53	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
logD	2.53	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
logD	2.53	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
logD	2.53	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
logD	2.53	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
logD	2.53	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
logD	2.53	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
logD	2.53	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
logP	2.534 ± 0.636	Ubushyuhe: 25 ° C.	(1) ACD
Mass Massins Solubility	0.078 g / L.	Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.078 g / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.078 g / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.078 g / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.078 g / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.078 g / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.078 g / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.078 g / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.078 g / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.078 g / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.078 g / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Gukemura ibibazo	0.078 g / L.	Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C.	(1) ACD
Molar Intrinsic Solubility	2.3 x 10-4 mol / L.	Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.3 x 10-4 mol / L.	pH 1;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.3 x 10-4 mol / L.	pH 2;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.3 x 10-4 mol / L.	pH 3;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.3 x 10-4 mol / L.	pH 4;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.3 x 10-4 mol / L.	pH 5;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.3 x 10-4 mol / L.	pH 6;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.3 x 10-4 mol / L.	pH 7;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.3 x 10-4 mol / L.	pH 8;Ubushyuhe: 25 ° C.	(1) ACD

Umutungo	Agaciro	Imiterere	Inkomoko
Amashanyarazi	2.3 x 10-4 mol / L.	pH 9;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.3 x 10-4 mol / L.	pH 10;Ubushyuhe: 25 ° C.	(1) ACD
Amashanyarazi	2.3 x 10-4 mol / L.	Amazi adafite amazi pH 7.00;Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	339.39
pKa	14.53 ± 0.40	Ubushyuhe bwinshi bwa Acide: 25 ° C.	(1) ACD
pKa	-3.10 ± 0.60	Ubushyuhe bwibanze: 25 ° C.	(1) ACD
Umuvuduko w'umwuka	6.35 x 10-13 Torr	Ubushyuhe: 25 ° C.	(1) ACD

Ubucucike

Umutungo	Agaciro	Imiterere	Inkomoko
Ubucucike	1.318 ± 0.06 g / cm3	Ubushyuhe: 20 ° C;Kanda: 760 Torr	(1) ACD
Umubumbe wa Molar	257.3 ± 3.0 cm3 / mol	Ubushyuhe: 20 ° C;Kanda: 760 Torr	(1) ACD

Lipinski

Umutungo	Agaciro	Imiterere	Inkomoko
Impapuro zishobora guhinduka	6		(1) ACD
H Abakira	5		(1) ACD
H Abaterankunga	2		(1) ACD
H Abaterankunga / Abemera Sum	7		(1) ACD
logP	2.534 ± 0.636	Ubushyuhe: 25 ° C.	(1) ACD
Uburemere bwa molekile	339.39

Imiterere ijyanye

Umutungo	Agaciro	Imiterere	Inkomoko
Ubuso bwa polarike	70.0 A2	(1) ACD

Ubushyuhe

Umutungo	Agaciro	Imiterere	Inkomoko
Ingingo	549.8 ± 40.0 ° C.	Kanda: 760 Torr	(1) ACD
Umwuka wo guhumeka	87.32 ± 3.0 kJ / mol	Kanda: 760 Torr	(1) ACD
Flash point	286.3 ± 27.3 ° C.		(1) ACD