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1007881-27-7 | L-Valine, N-5-pyrimidinyl-
CAS No: 1007881-27-7 Catalog No: AG0002VO MDL No:MFCD13193566
Product Description
Catalog Number:
AG0002VO
Chemical Name:
L-Valine, N-5-pyrimidinyl-
CAS Number:
1007881-27-7
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD13193566
IUPAC Name:
(2S)-3-methyl-2-(pyrimidin-5-ylamino)butanoic acid
InChI:
InChI=1S/C9H13N3O2/c1-6(2)8(9(13)14)12-7-3-10-5-11-4-7/h3-6,8,12H,1-2H3,(H,13,14)/t8-/m0/s1
InChI Key:
VJHWUEWJEIGNSC-QMMMGPOBSA-N
SMILES:
CC([C@@H](C(=O)O)Nc1cncnc1)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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