D-Aspartic acid,3-hydroxy-, (3S)-rel- supplier

Name
erythro-3-hydroxy-DL-aspartic acid
EINECS 229-431-4
CAS No. 6532-76-9
Article Data35
CAS DataBase
Density 1.738 g/cm³
Solubility
Melting Point
Formula C₄H₇NO₅
Boiling Point 368.7 °C at 760 mmHg
Molecular Weight 149.103
Flash Point 176.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms erythro-3-Hydroxy-DL-aspartic acid;
PSA 120.85000
LogP -1.45590

D-Aspartic acid,3-hydroxy-, (3S)-rel- Specification

The IUPAC name of D-Aspartic acid,3-hydroxy-, (3S)-rel- is 2-amino-3-hydroxybutanedioic acid. With the CAS registry number 6532-76-9, it is also named as erythro-3-Hydroxy-DL-aspartic acid. In addition, its molecular formula is C₄H₇NO₅ and its molecular weight is 149.10208.

The other characteristics of D-Aspartic acid,3-hydroxy-, (3S)-rel- can be summarized as: (1)EINECS: 229-431-4; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 120.85 Å²; (7)Index of Refraction: 1.583; (8)Molar Refractivity: 28.69 cm³; (9)Molar Volume: 85.7 cm³; (10)Polarizability: 11.37×10^-24cm³; (11)Surface Tension: 106.4 dyne/cm; (12)Density: 1.738 g/cm³; (13)Flash Point: 176.8 °C; (14)Enthalpy of Vaporization: 71.21 kJ/mol; (15)Boiling Point: 368.7 °C at 760 mmHg; (16)Vapour Pressure: 6.2E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C(N)[C@H](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)/t1?,2-/m0/s1
(3)InChIKey: YYLQUHNPNCGKJQ-ASHVXDOABO
(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)/t1?,2-/m0/s1
(5)Std. InChIKey: YYLQUHNPNCGKJQ-ASHVXDOASA-N

Product Name

erythro-3-hydroxy-DL-aspartic acid

D-Aspartic acid,3-hydroxy-, (3S)-rel- Specification

Related Products

Hot Products