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56892-03-6

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Basic Information
CAS No.: 56892-03-6
Name: D-2-AMINO-4-SULFOBUTYRIC ACID
Molecular Structure:
Molecular Structure of 56892-03-6 (D-2-AMINO-4-SULFOBUTYRIC ACID)
Formula: C4H9NO5S
Molecular Weight: 183.18
Synonyms: (2R)-2-Amino-4-sulfobutanoic acid;D-Homocysteic acid;
Density: 1.638 g/cm3
PSA: 126.07000
LogP: 0.45730
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Specification

The Butanoic acid,2-amino-4-sulfo-,(2R)-, with the CAS registry number of 56892-03-6, is also known as D-Homocysteic acid. The molecular formula of this chemical is C4H9NO5S and its molecular weight is 183.18. What's more, its IUPAC name is (2R)-2-Amino-4-sulfobutanoic acid.

Physical properties about Butanoic acid,2-amino-4-sulfo-,(2R)- are: (1)ACD/LogP: -2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.76; (4)ACD/LogD (pH 7.4): -5.77; (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: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 81.29 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 36.16 cm3; (15)Molar Volume: 111.7 cm3; (16)Polarizability: 14.33×10-24 cm3; (17)Surface Tension: 85 dyne/cm; (18)Density: 1.638 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)CC[C@H](C(=O)O)N
(2) InChI: InChI=1/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m1/s1
(3) InChIKey: VBOQYPQEPHKASR-GSVOUGTGBI