Diethoxyphosphoryloxymethyl butanoate
Basic information
- CAS
213262-83-0- Standard SMILES
CCCC(=O)OCOP(=O)(OCC)OCC- InChIKey
UGIGKLCVADLBRB-UHFFFAOYSA-N- Molecular formula
- C9H19O6P
- Average molar mass
- 254.22 g/mol
- Monoisotopic mass
- 254.09192532
Overview
butyroyloxymethyl-diethyl phosphate antitumor cpd; structure in first source; do not confuse with AN 7 peptide complex
Names & identifiers
- Preferred name
- Diethoxyphosphoryloxymethyl butanoate
- IUPAC
- diethoxyphosphoryloxymethyl butanoate
Names & synonyms
Diethoxyphosphoryloxymethyl Butanoatebutyroyloxymethyl diethylphosphateAN-7 diethylphosphatebutyroyloxymethyl-diethyl phosphateRefChem:920147213262-83-0Butanoic acid, [(diethoxyphosphinyl)oxy]methyl ester((Diethoxyphosphoryl)oxy)methyl butyrate(diethoxyphosphoryloxy)methyl butyrateCHEMBL486366SCHEMBL7781266DTXSID60431619
Show more names
GLXC-10159HY-117136[(DIETHOXYPHOSPHORYL)OXY]METHYL BUTANOATE
Database identifiers
- CAS
213262-83-0- PubChem CID
- 9837935
- DTXSID
DTXSID60431619- ChEMBL
CHEMBL486366
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
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Compound notes
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