(2S,4S)-Dibenzyl-4-hydroxypyrrolidine-1,2-dicarboxylate supplier

Name
（2s，4s）-dibenzyl 4-hydroxypyrrolidine-1，2-dicarboxylate
EINECS
CAS No. 132592-07-5
Article Data9
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point
Formula C₂₀H₂₁NO₅
Boiling Point 517.884 °C at 760 mmHg
Molecular Weight 355.39
Flash Point 267.007 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, bis(phenylmethyl) ester,(2S-cis)-;(2S,4S)-1,2-Bis(benzyloxycarbonyl)-4-hydroxypyrrolidine;1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, bis(phenylmethyl) ester, (2S,4S)- (9CI);1,2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1,2-bis(phenylmethyl) ester, (2S,4S)-;
PSA 76.07000
LogP 2.43970

(2S,4S)-Dibenzyl-4-hydroxypyrrolidine-1,2-dicarboxylate Specification

The (2S, 4S)-Dibenzyl-4-hydroxypyrrolidine-1, 2-dicarboxylate, with the CAS registry number 132592-07-5, is also known as 1, 2-Pyrrolidinedicarboxylicacid, 4-hydroxy-, 1, 2-bis(phenylmethyl) ester, (2S, 4S)-. This chemical's molecular formula is C₂₀H₂₁NO₅ and molecular weight is 355.39. What's more, its IUPAC name is Dibenzyl (2S, 4S)-4-hydroxypyrrolidine-1, 2-dicarboxylate.

Physical properties about (2S, 4S)-Dibenzyl-4-hydroxypyrrolidine-1, 2-dicarboxylate are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.161; (4)ACD/LogD (pH 7.4): 3.161; (5)ACD/BCF (pH 5.5): 148.641; (6)ACD/BCF (pH 7.4): 148.641; (7)ACD/KOC (pH 5.5): 1248.606; (8)ACD/KOC (pH 7.4): 1248.606; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 76.07 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 94.48 cm³; (15)Molar Volume: 273.393 cm³; (16)Polarizability: 37.455×10^-24 cm³; (17)Surface Tension: 59.347 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 267.007 °C; (20)Enthalpy of Vaporization: 83.202 kJ/mol; (21)Boiling Point: 517.884 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)COC(=O)[C@@H]2C[C@@H](CN2C(=O)OCc3ccccc3)O
(2) InChI: InChI=1/C20H21NO5/c22-17-11-18(19(23)25-13-15-7-3-1-4-8-15)21(12-17)20(24)26-14-16-9-5-2-6-10-16/h1-10,17-18,22H,11-14H2/t17-,18-/m0/s1
(3) InChIKey: XHKMBFDLCAZWCR-ROUUACIJBG

Product Name

（2s，4s）-dibenzyl 4-hydroxypyrrolidine-1，2-dicarboxylate

(2S,4S)-Dibenzyl-4-hydroxypyrrolidine-1,2-dicarboxylate Specification

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