CAS No.21160-82-7,Z-LYS(Z)-ONP Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	21160-82-7
Name:	Z-LYS(Z)-ONP

Formula:	C₂₈H₂₉N₃O₈
Molecular Weight:	535.554
Synonyms:	Lysine,N²,N⁶-dicarboxy-, N²,N⁶-dibenzyl p-nitrophenyl ester, L- (8CI);N,N'-Bis(benzyloxycarbonyl)-L-lysine p-nitrophenyl ester;
EINECS:	244-251-6
Density:	1.289 g/cm³
Boiling Point:	713.5 °C at 760 mmHg
Flash Point:	385.3 °C
PSA:	148.78000
LogP:	6.19690

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Specification

The L-Lysine,N²,N⁶-bis[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester, with the CAS registry number 21160-82-7, is also known as N,N'-Bis(benzyloxycarbonyl)-L-lysine p-nitrophenyl ester. Its EINECS registry number is 244-251-6. This chemical's molecular formula is C₂₈H₂₉N₃O₈ and molecular weight is 535.55. What's more, its IUPAC name is (4-Nitrophenyl)2-[phenylmethoxycarbonyl-[4-(phenylmethoxycarbonylamino)butyl]amino acetate and systematic name is called 4-Nitrophenyl N-[(benzyloxy)carbonyl]-N-(4-{[(benzyloxy)carbonyl]amino}butyl)glycinate.

Physical properties about L-Lysine,N²,N⁶-bis[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester are: (1) ACD/LogP: 5.97; (2) # of Rule of 5 Violations: 3; (3) ACD/LogD (pH 5.5): 5.97; (4) ACD/LogD (pH 7.4): 5.97; (5) ACD/BCF (pH 5.5): 20281.24; (6) ACD/BCF (pH 7.4): 20281.11; (7) ACD/KOC (pH 5.5): 42131.24; (8) ACD/KOC (pH 7.4): 42130.96; (9) #H bond acceptors: 11; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 16; (12) Polar Surface Area: 131.2 Å²; (13) Index of Refraction: 1.594; (14) Molar Refractivity: 141.04 cm³; (15) Molar Volume: 415.3 cm³; (16) Surface Tension: 54.7 dyne/cm; (17) Density: 1.289 g/cm³; (18) Flash Point: 385.3 °C; (19) Enthalpy of Vaporization: 104.3 kJ/mol; (20) Boiling Point: 713.5 °C at 760 mmHg; (21) Vapour Pressure: 3.31E-20 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)CN(C(=O)OCc2ccccc2)CCCCNC(=O)OCc3ccccc3
(2) InChI: InChI=1/C28H29N3O8/c32-26(39-25-15-13-24(14-16-25)31(35)36)19-30(28(34)38-21-23-11-5-2-6-12-23)18-8-7-17-29-27(33)37-20-22-9-3-1-4-10-22/h1-6,9-16H,7-8,17-21H2,(H,29,33)
(3) InChIKey: MNVSGIGRAHZSAY-UHFFFAOYAI