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VXA : Summary

Code

VXA

One-letter code

X

Molecule name

METHYLPHOSPHONIC ACID ESTER GROUP

Systematic names

ProgramVersionName
ACDLabs 10.04 methylphosphinate
OpenEye OEToolkits 1.5.0 methylphosphinate

Formula

C H4 O2 P

Formal charge

-1

Molecular weight

79.015 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-]P(=O)C
SMILES CACTVS 3.341 C[PH]([O-])=O
SMILES OpenEye OEToolkits 1.5.0 CP(=O)[O-]
Canonical SMILES CACTVS 3.341 C[PH]([O-])=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[P@H](=O)[O-]

IUPAC InChI

InChI=1S/CH5O2P/c1-4(2)3/h4H,1H3,(H,2,3)/p-1

IUPAC InChI key

BCDIWLCKOCHCIH-UHFFFAOYSA-M
VXA

wwPDB Information

Atom count

8 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned