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77815-87-3 | Butanoic acid, 3-amino-4-oxo-4-(phosphonooxy)-, (3S)-
CAS No: 77815-87-3 Catalog No: AG005F28 MDL No:
Product Description
Catalog Number:
AG005F28
Chemical Name:
Butanoic acid, 3-amino-4-oxo-4-(phosphonooxy)-, (3S)-
CAS Number:
77815-87-3
Molecular Formula:
C4H8NO7P
Molecular Weight:
213.0826
IUPAC Name:
(3S)-3-amino-4-oxo-4-phosphonooxybutanoic acid
InChI:
InChI=1S/C4H8NO7P/c5-2(1-3(6)7)4(8)12-13(9,10)11/h2H,1,5H2,(H,6,7)(H2,9,10,11)/t2-/m0/s1
InChI Key:
MOKLFAZOVPBPSX-REOHCLBHSA-N
SMILES:
OC(=O)C[C@@H](C(=O)OP(=O)(O)O)N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
213.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
213.082g/mol
Monoisotopic Mass:
213.004g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.2
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