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| CAS No.: | 62023-59-0 |
|---|---|
| Name: | (2S,3S)-3-AMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C18H19NO5 |
| Molecular Weight: | 329.353 |
| Synonyms: | (2S,3S)-3-(Z-AMINO)-2-HYDROXY-4-PHENYLBUTYRIC ACID;(2S,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTANOIC ACID;(2S,3S)-3-AMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID;(2S,3S)-H-APNS-OH |
| Density: | 1.295 g/cm3 |
| Boiling Point: | 581.9 °C at 760 mmHg |
| Flash Point: | 305.7 °C |
| PSA: | 95.86000 |
| LogP: | 2.36050 |
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- Total:15 Page 1 of 1 1
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Specification
The Benzenebutanoicacid, α-hydroxy-β-[[(phenylmethoxy)carbonyl]amino]-, (αS,βS)- has CAS registry number 62023-59-0. This chemical's molecular formula is C18H19NO5 and molecular weight is 329.35. What's more, its systematic name is (2S,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutanoic acid.
Physical properties of Benzenebutanoicacid, a-hydroxy-b-[[(phenylmethoxy)carbonyl]amino]-, (aS,bS)- are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 1.39; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.32; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 65.07 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 87.2 cm3; (15)Molar Volume: 254.1 cm3; (16)Polarizability: 34.57×10-24cm3; (17)Surface Tension: 57.9 dyne/cm; (18)Density: 1.295 g/cm3; (19)Flash Point: 305.7 °C; (20)Enthalpy of Vaporization: 91.52 kJ/mol; (21)Boiling Point: 581.9 °C at 760 mmHg; (22)Vapour Pressure: 2.21E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](O)[C@@H](NC(=O)OCc1ccccc1)Cc2ccccc2
(2)Std. InChI: InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16-/m0/s1
(3)Std. InChIKey: JXJYTERRLRAUSF-HOTGVXAUSA-N