D-Ornithine,N5-[(phenylmethoxy)carbonyl]- supplier

Name
H-D-ORN(Z)-OH
EINECS
CAS No. 16937-91-0
Article Data4
CAS DataBase
Density 1.234 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈N₂O₄
Boiling Point 489.4 °C at 760 mmHg
Molecular Weight 266.297
Flash Point 249.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Benzyloxycarbonyl-D-ornithine;
PSA 101.65000
LogP 2.19610

D-Ornithine,N5-[(phenylmethoxy)carbonyl]- Specification

The CAS registry number of D-Ornithine,N⁵-[(phenylmethoxy)carbonyl]- is 16937-91-0. This chemical is also named as N-Benzyloxycarbonyl-D-ornithine. In addition, its molecular formula is C₁₃H₁₈N₂O₄ and molecular weight is 266.29. Its systematic name is called (2R)-5-ammonio-2-{[(benzyloxy)carbonyl]amino}pentanoate.

Physical properties about D-Ornithine,N⁵-[(phenylmethoxy)carbonyl]- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.556; (13)Molar Refractivity: 69.39 cm³; (14)Molar Volume: 215.7 cm³; (15)Surface Tension: 53.5 dyne/cm; (16)Density: 1.234 g/cm³; (17)Flash Point: 249.8 °C; (18)Enthalpy of Vaporization: 79.6 kJ/mol; (19)Boiling Point: 489.4 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@H](NC(=O)OCc1ccccc1)CCC[NH3+]
(2)InChI: InChI=1/C13H18N2O4/c14-8-4-7-11(12(16)17)15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m1/s1
(3)InChIKey: ZYGRWJVRLNJIMR-LLVKDONJBJ

Product Name

H-D-ORN(Z)-OH

D-Ornithine,N5-[(phenylmethoxy)carbonyl]- Specification

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