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23315-18-6 | D-Valine, 3-sulfino-
CAS No: 23315-18-6 Catalog No: AG002MUZ MDL No:MFCD13191752
Product Description
Catalog Number:
AG002MUZ
Chemical Name:
D-Valine, 3-sulfino-
CAS Number:
23315-18-6
Molecular Formula:
C5H11NO4S
Molecular Weight:
181.2101
MDL Number:
MFCD13191752
IUPAC Name:
(2S)-2-amino-3-methyl-3-sulfinobutanoic acid
InChI:
InChI=1S/C5H11NO4S/c1-5(2,11(9)10)3(6)4(7)8/h3H,6H2,1-2H3,(H,7,8)(H,9,10)/t3-/m0/s1
InChI Key:
SVIZNTHNFAOGAB-VKHMYHEASA-N
SMILES:
OC(=O)[C@@H](C(S(=O)O)(C)C)N
UNII:
2V4U3434AJ
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
181.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.206g/mol
Monoisotopic Mass:
181.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
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