Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
D-Aspartic acid,3-hydroxy-, (3S)- |
EINECS | N/A |
CAS No. | 5753-30-0 | Density | 1.738 g/cm3 |
PSA | 120.85000 | LogP | -1.45590 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H7NO5 | Boiling Point | 368.7 °C at 760 mmHg |
Molecular Weight | 149.103 | Flash Point | 176.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Asparticacid, 3-hydroxy-, D-erythro- (8CI);D-Aspartic acid, 3-hydroxy-, erythro-;NSC158204;erythro-b-Hydroxy-D-asparticacid; |
Article Data | 36 |
The CAS register number of D-Aspartic acid,3-hydroxy-, (3S)- is 5753-30-0. It also can be called as (2R,3S)-2-amino-3-hydroxy-succinic acid and the IUPAC name about this chemical is 2-amino-3-hydroxybutanedioic acid. The molecular formula about this chemical is C4H7NO5 and the molecular weight is 149.10208.
Physical properties about D-Aspartic acid,3-hydroxy-, (3S)- are: (1)ACD/LogP: -0.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4.01; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 65.07Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 28.69 cm3; (15)Molar Volume: 85.7 cm3; (16)Polarizability: 11.37x10-24cm3; (17)Surface Tension: 106.4 dyne/cm; (18)Enthalpy of Vaporization: 71.21 kJ/mol; (19)Boiling Point: 368.7 °C at 760 mmHg; (20)Vapour Pressure: 6.2E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)C(O)C(=O)O
(2)InChI: InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)
(3)InChIKey: YYLQUHNPNCGKJQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)
(5)Std. InChIKey: YYLQUHNPNCGKJQ-UHFFFAOYSA-N