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CAS No.: | 57357-56-9 |
---|---|
Name: | AC-D-NVA-OH |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H13NO3 |
Molecular Weight: | 159.185 |
Synonyms: | N-Acetyl-D-norvaline;(R)-2-Acetamidopentanoic acid; |
Density: | 1.097 g/cm3 |
Boiling Point: | 371.8 °C at 760 mmHg |
Flash Point: | 178.7 °C |
Safety: | 24/25 |
PSA: | 66.40000 |
LogP: | 0.76670 |
The CAS register number of D-Norvaline, N-acetyl- is 57357-56-9. It also can be called as (R)-2-Acetamidopentanoic acid and the systematic name about this chemical is N-acetyl-D-norvaline. The molecular formula about this chemical is C7H13NO3 and the molecular weight is 159.18.
Physical properties about D-Norvaline, N-acetyl- are: (1)ACD/LogD (pH 5.5): -2.1; (2)ACD/LogD (pH 7.4): -3.56; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 46.61Å2; (11)Index of Refraction: 1.458; (12)Molar Refractivity: 39.62 cm3; (13)Molar Volume: 145 cm3; (14)Polarizability: 15.7x10-24cm3; (15)Surface Tension: 39.1 dyne/cm; (16)Enthalpy of Vaporization: 67.96 kJ/mol; (17)Boiling Point: 371.8 °C at 760 mmHg; (18)Vapour Pressure: 1.5E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@@H](C(=O)O)CCC)C
(2)InChI: InChI=1/C7H13NO3/c1-3-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m1/s1
(3)InChIKey: BSYFPUSAWVWWDG-ZCFIWIBFBD
(4)Std. InChI: InChI=1S/C7H13NO3/c1-3-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m1/s1
(5)Std. InChIKey: BSYFPUSAWVWWDG-ZCFIWIBFSA-N