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23400-34-2 | D-Valine, 3-sulfo-
CAS No: 23400-34-2 Catalog No: AG002N3N MDL No:
Product Description
Catalog Number:
AG002N3N
Chemical Name:
D-Valine, 3-sulfo-
CAS Number:
23400-34-2
Molecular Formula:
C5H11NO5S
Molecular Weight:
197.2095
IUPAC Name:
(2S)-2-amino-3-methyl-3-sulfobutanoic acid
InChI:
InChI=1S/C5H11NO5S/c1-5(2,12(9,10)11)3(6)4(7)8/h3H,6H2,1-2H3,(H,7,8)(H,9,10,11)/t3-/m0/s1
InChI Key:
IAZCXYBRDWVPNV-VKHMYHEASA-N
SMILES:
OC(=O)[C@@H](C(S(=O)(=O)O)(C)C)N
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
197.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
197.205g/mol
Monoisotopic Mass:
197.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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