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| CAS No.: | 16504-57-7 |
|---|---|
| Name: | D-BETA-HOMOSERINE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C4H9NO3 |
| Molecular Weight: | 119.12 |
| Synonyms: | Butanoicacid, 3-amino-4-hydroxy-, (S)-;Butyric acid, 3-amino-4-hydroxy-, (-)- (8CI);(-)-4-Hydroxy-3-aminobutyric acid; |
| Density: | 1.313 g/cm3 |
| Melting Point: | 223-225 °C |
| Boiling Point: | 374.546 °C at 760 mmHg |
| Flash Point: | 180.319 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 83.55000 |
| LogP: | -0.51900 |
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- Total:31 Page 1 of 1 1
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Specification
The D-beta-Homoserine, with the CAS registry number 16504-57-7, is also known as (-)-4-Hydroxy-3-aminobutyric acid. It belongs to the product categories of β-Homo Amino Acids; Beta amino acids; Pharmacetical. This chemical's molecular formula is C4H9NO3 and molecular weight is 119.12. Its IUPAC name is called (3S)-3-azaniumyl-4-hydroxybutanoate.
Physical properties of D-beta-Homoserine: (1)ACD/LogP: -1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.66; (4)ACD/LogD (pH 7.4): -3.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.51; (13)Molar Refractivity: 27.17 cm3; (14)Molar Volume: 90.7 cm3; (15)Surface Tension: 63.5 dyne/cm; (16)Density: 1.312 g/cm3; (17)Flash Point: 180.3 °C; (18)Enthalpy of Vaporization: 71.96 kJ/mol; (19)Boiling Point: 374.5 °C at 760 mmHg; (20)Vapour Pressure: 3.84E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(CO)[NH3+])C(=O)[O-]
(2)Isomeric SMILES: C([C@@H](CO)[NH3+])C(=O)[O-]
(3)InChI: InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
(4)InChIKey: BUZICZZQJDLXJN-VKHMYHEASA-N