CAS No.3256-57-3,Z-ASN-ONP Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3256-57-3
Name:	Z-ASN-ONP

Formula:	C₁₈H₁₇N₃O₇
Molecular Weight:	387.349
Synonyms:	Asparagine,N2-carboxy-, N2-benzyl p-nitrophenyl ester, L- (6CI,7CI,8CI);N-(Benzyloxycarbonyl)-L-asparagine p-nitrophenyl ester;N-(Benzyloxycarbonyl)asparagine p-nitrophenyl ester;N2-(Benzyloxycarbonyl)-L-asparagine p-nitrophenyl ester;Na-(Benzyloxycarbonyl)-L-asparaginep-nitrophenyl ester;
EINECS:	221-853-7
Density:	1.387 g/cm³
Boiling Point:	688.3 °C at 760 mmHg
Flash Point:	370.1 °C
PSA:	153.54000
LogP:	3.28500

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Specification

The CAS register number of 4-Nitrophenyl N2-((benzyloxy)carbonyl)-L-asparaginate is 3256-57-3. It also can be called as L-Asparagine,N2-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester and the IUPAC name about this chemical is (4-nitrophenyl) 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate. The molecular formula about this chemical is C₁₈H₁₇N₃O₇ and the molecular weight is 387.34.

Physical properties about 4-Nitrophenyl N2-((benzyloxy)carbonyl)-L-asparaginate are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 62.13; (6)ACD/BCF (pH 7.4): 62.03; (7)ACD/KOC (pH 5.5): 668.77; (8)ACD/KOC (pH 7.4): 667.68; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 121.97Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 96.05 cm³; (15)Molar Volume: 279.1 cm³; (16)Polarizability: 38.07x10^-24cm³; (17)Surface Tension: 60.9 dyne/cm; (18)Enthalpy of Vaporization: 100.9 kJ/mol; (19)Boiling Point: 688.3 °C at 760 mmHg; (20)Vapour Pressure: 8.47E-19 mmHg at 25°C .

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)C(NC(=O)OCc2ccccc2)CC(=O)N
(2)InChI: InChI=1/C18H17N3O7/c19-16(22)10-15(20-18(24)27-11-12-4-2-1-3-5-12)17(23)28-14-8-6-13(7-9-14)21(25)26/h1-9,15H,10-11H2,(H2,19,22)(H,20,24)
(3)InChIKey: YLWIFNIVONXXMG-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C18H17N3O7/c19-16(22)10-15(20-18(24)27-11-12-4-2-1-3-5-12)17(23)28-14-8-6-13(7-9-14)21(25)26/h1-9,15H,10-11H2,(H2,19,22)(H,20,24)
(5)Std. InChIKey: YLWIFNIVONXXMG-UHFFFAOYSA-N