Diphosphoric(III,V) acid, P(sup V),P(sup V)-diethyl dimethyl ester

HCID 14029

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Basic information

CAS: 1067-76-1
Standard SMILES: CCOP(=O)(OCC)OP(OC)OC
InChIKey: PUYLGTLIKPXPRP-UHFFFAOYSA-N
Molecular formula: C6H16O6P2
Average molar mass: 246.14 g/mol
Monoisotopic mass: 246.04221222

Names & identifiers

Preferred name: Diphosphoric(III,V) acid, P(sup V),P(sup V)-diethyl dimethyl ester
IUPAC: dimethoxyphosphanyl diethyl phosphate

Names & synonyms

4100 Bis HCBRN 18727461067-76-1DIPHOSPHORIC(III,V) ACID, P(sup V),P(sup V)-DIETHYL DIMETHYL ESTERDTXSID10147733Ethyl methyl diphosphate (III,V)((EtO)2P(O)OP(OMe)2)RefChem:339012DTXCID1070224Ethyl methyl diphosphate (III,V)((EtO)2P(O)OP(OMe)2) (7CI)

Database identifiers

CAS: 1067-76-1
PubChem CID: 14029
DTXSID: DTXSID10147733

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 63.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 14
Formal charge: 0
Complexity: 173

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