Basic information
- Name:
D-Asparagine,N2-[(phenylmethoxy)carbonyl]-
- Superlist Name:
- N-Carbobenzyloxy-D-asparagine
- CAS No.:
4474-86-6
- Molecular Structure:
![Molecular Structure of 4474-86-6 (D-Asparagine,N2-[(phenylmethoxy)carbonyl]-)](http://www.lookchem.com/300w/2010/0621/4474-86-6.jpg)
- Formula:
- C12H14N2O5
- Molecular Weight:
- 266.25
- Synonyms:
- Asparagine,N2-carboxy-, N-benzyl ester, D- (8CI);N2-(Benzyloxycarbonyl)-D-asparagine;NSC 88475;N-Cbz-D-Asn-OH;N-alpha-CBZ-D-Asparagine;N-Carbobenzyloxy-D-asparagine;
- Density:
- 1.355 g/cm3
- Melting Point:
- 162-164 °C
- Boiling Point:
- 580.6 °C at 760 mmHg
- Flash Point:
- 304.9 °C
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Specification
The CAS register number of D-Asparagine,N2-[(phenylmethoxy)carbonyl]- is 4474-86-6. It also can be called as N-Carbobenzyloxy-D-asparagine and the IUPAC name about this chemical is 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid. The molecular formula about this chemical is C12H14N2O5 and the molecular weight is 266.25. It belongs to the following product categories, such as Amino Acid Derivatives; Amino Acids; Amino Acids (N-Protected); Biochemistry; Cbz-Amino Acids and so on.
Physical properties about D-Asparagine,N2-[(phenylmethoxy)carbonyl]- are: (1)ACD/LogP: 0.89; (2)ACD/LogD (pH 5.5): -1.3; (3)ACD/LogD (pH 7.4): -2.7; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 76.15Å2; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 64.79 cm3; (14)Molar Volume: 196.3 cm3; (15)Polarizability: 25.68x10-24cm3; (16)Surface Tension: 61 dyne/cm; (17)Enthalpy of Vaporization: 91.34 kJ/mol; (18)Boiling Point: 580.6 °C at 760 mmHg; (19)Vapour Pressure: 2.54E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)C[C@H](C(=O)O)NC(=O)OCc1ccccc1
(2)InChI: InChI=1/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)/t9-/m1/s1
(3)InChIKey: FUCKRCGERFLLHP-SECBINFHBQ
(4)Std. InChI: InChI=1S/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)/t9-/m1/s1
(5)Std. InChIKey: FUCKRCGERFLLHP-SECBINFHSA-N