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1472-66-8 | D-Valine, D-alanyl-
CAS No: 1472-66-8 Catalog No: AG001EP5 MDL No:
Product Description
Catalog Number:
AG001EP5
Chemical Name:
D-Valine, D-alanyl-
CAS Number:
1472-66-8
Molecular Formula:
C8H16N2O3
Molecular Weight:
188.2242
IUPAC Name:
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6-/m1/s1
InChI Key:
LIWMQSWFLXEGMA-PHDIDXHHSA-N
SMILES:
C[C@H](C(=O)N[C@@H](C(=O)O)C(C)C)N
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
188.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.227g/mol
Monoisotopic Mass:
188.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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