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

Pangunahing impormasyon:

Detalye ng produkto

Mga tag ng produkto

Mga pisikal na katangian

Mga pangunahing katangian ng pisikal	Halaga	Kundisyon
Molekular na timbang	339.39	-
Boiling point (hinulaang)	549.8 ± 40.0 ° C.	Pindutin: 760 Torr
Density (hinulaang)	1.318 ± 0.06 g/cm3	Temp: 20 ° C; Pindutin: 760 Torr
pka (hinulaang)	14.53 ± 0.40	Karamihan sa acidic temp: 25 ° C.

Iba pang mga pangalan at pagkakakilanlan

Canonical Smiles 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 iba pang mga pangalan para sa sangkap na ito
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

Hinulaang mga pag -aari

Magagamit ang mga pag -aari

Biological

Kemikal

Density

Lipinski

May kaugnayan sa istraktura

Thermal

Biological

Ari -arian	Halaga	Kundisyon	Pinagmulan
Bioconcentration factor	49.6	pH 1; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	49.6	Ph 2; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	49.6	Ph 3; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	49.6	Ph 4; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	49.6	Ph 5; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	49.6	Ph 6; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	49.6	Ph 7; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	49.6	Ph 8; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	49.6	Ph 9; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	49.6	Ph 10; Temp: 25 ° C.	(1) ACD

Kemikal

Ari -arian	Halaga	Kundisyon	Pinagmulan
KOC	569	pH 1; Temp: 25 ° C.	(1) ACD
KOC	569	Ph 2; Temp: 25 ° C.	(1) ACD
KOC	569	Ph 3; Temp: 25 ° C.	(1) ACD
KOC	569	Ph 4; Temp: 25 ° C.	(1) ACD
KOC	569	Ph 5; Temp: 25 ° C.	(1) ACD
KOC	569	Ph 6; Temp: 25 ° C.	(1) ACD
KOC	569	Ph 7; Temp: 25 ° C.	(1) ACD
KOC	569	Ph 8; Temp: 25 ° C.	(1) ACD
KOC	569	Ph 9; Temp: 25 ° C.	(1) ACD
KOC	569	Ph 10; Temp: 25 ° C.	(1) ACD

Ari -arian	Halaga	Kundisyon	Pinagmulan
logd	2.53	pH 1; Temp: 25 ° C.	(1) ACD
logd	2.53	Ph 2; Temp: 25 ° C.	(1) ACD
logd	2.53	Ph 3; Temp: 25 ° C.	(1) ACD
logd	2.53	Ph 4; Temp: 25 ° C.	(1) ACD
logd	2.53	Ph 5; Temp: 25 ° C.	(1) ACD
logd	2.53	Ph 6; Temp: 25 ° C.	(1) ACD
logd	2.53	Ph 7; Temp: 25 ° C.	(1) ACD
logd	2.53	Ph 8; Temp: 25 ° C.	(1) ACD
logd	2.53	Ph 9; Temp: 25 ° C.	(1) ACD
logd	2.53	Ph 10; Temp: 25 ° C.	(1) ACD
Logp	2.534 ± 0.636	Temp: 25 ° C.	(1) ACD
Mass intrinsic solubility	0.078 g/l	Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.078 g/l	pH 1; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.078 g/l	Ph 2; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.078 g/l	Ph 3; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.078 g/l	Ph 4; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.078 g/l	Ph 5; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.078 g/l	Ph 6; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.078 g/l	Ph 7; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.078 g/l	Ph 8; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.078 g/l	Ph 9; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.078 g/l	Ph 10; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	0.078 g/l	Hindi nabuong tubig pH 7.00; Temp: 25 ° C.	(1) ACD
Molar intrinsic solubility	2.3 x 10-4 mol/l	Temp: 25 ° C.	(1) ACD
Molar solubility	2.3 x 10-4 mol/l	pH 1; Temp: 25 ° C.	(1) ACD
Molar solubility	2.3 x 10-4 mol/l	Ph 2; Temp: 25 ° C.	(1) ACD
Molar solubility	2.3 x 10-4 mol/l	Ph 3; Temp: 25 ° C.	(1) ACD
Molar solubility	2.3 x 10-4 mol/l	Ph 4; Temp: 25 ° C.	(1) ACD
Molar solubility	2.3 x 10-4 mol/l	Ph 5; Temp: 25 ° C.	(1) ACD
Molar solubility	2.3 x 10-4 mol/l	Ph 6; Temp: 25 ° C.	(1) ACD
Molar solubility	2.3 x 10-4 mol/l	Ph 7; Temp: 25 ° C.	(1) ACD
Molar solubility	2.3 x 10-4 mol/l	Ph 8; Temp: 25 ° C.	(1) ACD

Ari -arian	Halaga	Kundisyon	Pinagmulan
Molar solubility	2.3 x 10-4 mol/l	Ph 9; Temp: 25 ° C.	(1) ACD
Molar solubility	2.3 x 10-4 mol/l	Ph 10; Temp: 25 ° C.	(1) ACD
Molar solubility	2.3 x 10-4 mol/l	Hindi nabuong tubig pH 7.00; Temp: 25 ° C.	(1) ACD
Molekular na timbang	339.39
PKA	14.53 ± 0.40	Karamihan sa acidic temp: 25 ° C.	(1) ACD
PKA	-3.10 ± 0.60	Karamihan sa mga pangunahing temp: 25 ° C.	(1) ACD
Presyon ng singaw	6.35 x 10-13 Torr	Temp: 25 ° C.	(1) ACD

Density

Ari -arian	Halaga	Kundisyon	Pinagmulan
Density	1.318 ± 0.06 g/cm3	Temp: 20 ° C; Pindutin: 760 Torr	(1) ACD
Dami ng molar	257.3 ± 3.0 cm3/mol	Temp: 20 ° C; Pindutin: 760 Torr	(1) ACD

Lipinski

Ari -arian	Halaga	Kundisyon	Pinagmulan
Malayang rotatable bond	6		(1) ACD
H Mga Tanggap	5		(1) ACD
H donor	2		(1) ACD
H Donor/Acceptor Sum	7		(1) ACD
Logp	2.534 ± 0.636	Temp: 25 ° C.	(1) ACD
Molekular na timbang	339.39

May kaugnayan sa istraktura

Ari -arian	Halaga	Kundisyon	Pinagmulan
Polar Surface Area	70.0 A2	(1) ACD

Thermal

Ari -arian	Halaga	Kundisyon	Pinagmulan
Boiling point	549.8 ± 40.0 ° C.	Pindutin: 760 Torr	(1) ACD
Enthalpy ng singaw	87.32 ± 3.0 kJ/mol	Pindutin: 760 Torr	(1) ACD
Flash point	286.3 ± 27.3 ° C.		(1) ACD