D-Leucine,4-methyl-N-[(phenylmethoxy)carbonyl]- (9CI)

Details:

1. Introduction of D-Leucine,4-methyl-N-[(phenylmethoxy)carbonyl]- (9CI)

The D-Leucine,4-methyl-N-[(phenylmethoxy)carbonyl]- (9CI), with its CAS NO 201677-20-5, is a kind of colorless to light yellow solid. It has synonyms of N-ALPHA-CARBOBENZOXY-D-GAMMA-METHYL-LEUCINE DICYCLOHEXYLAMMONIUM SALT;N-ALPHA-CARBOBENZOXY-D-T-BUTYL-ALANINE DCHA;Z-D-NEOPENTYLGLYCINE DICYCLOHEXYLAMMONIUM SALT;Z-D-NEOPENTYLGLY-OH DCHA;Z-D-LEU(ME)-OH DCHA;Z-D-BETA-TBU-ALA-OH DCHA;Z-D-ALA(TBU)-OH DCHA and Z-BETA-TBU-D-ALANINE DCHA.

2. Properties of D-Leucine,4-methyl-N-[(phenylmethoxy)carbonyl]- (9CI)

(1) ACD/LogP: 7.141  (2) # of Rule of 5 Violations: 1
(3) ACD/LogD (pH 5.5): 4.64  (4) ACD/LogD (pH 7.4): 4.64
(5) #H bond acceptors: 6  (6) #H bond donors: 2
(7) #Freely Rotating Bonds: 8  (8) Polar Surface Area: 78.87 ?2
(9) Polarizability: 10-24cm3 (10) Flash Point: 309.2 °C  (11) Enthalpy of Vaporization: 92.29 kJ/mol
(12) Boiling Point: 587.7 °C at 760 mmHg  (13) Vapour Pressure: 1.17E-14 mmHg at 25°C
 

3. Structure descriptors of D-Leucine,4-methyl-N-[(phenylmethoxy)carbonyl]- (9CI)

SMILES:OC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C.C1CCCCC1NC2CCCCC2

Std. InChI:InChI=1S/C15H21NO4.C12H23N/c1-15(2,3)20-14(19)16(4)12(13(17)18)10-11-8-6-5-7-9-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,12H,10H2,1-4H3,(H,17,18);11-13H,1-10H2/t12-;/m1./s1

Std. InChIKey:MFORGORUOHHLHW-UTONKHPSSA-N