1-Propanol, 3,3'-((tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)imino)bis-, dimethanesulfonate (ester), P-oxide

HCID 216845

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Basic information

CAS: 37752-30-0
Standard SMILES: CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)P1(=O)NCCCO1
InChIKey: LDJYQUUXVWTUMZ-UHFFFAOYSA-N
Molecular formula: C11H25N2O8PS2
Average molar mass: 408.4 g/mol
Monoisotopic mass: 408.0789951

Names & identifiers

Preferred name: 1-Propanol, 3,3'-((tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)imino)bis-, dimethanesulfonate (ester), P-oxide
IUPAC: 3-[3-methylsulfonyloxypropyl-(2-oxo-1,3,2λ5-oxazaphosphinan-2-yl)amino]propyl methanesulfonate

Names & synonyms

BRN 109194637752-30-01-Propanol, 3,3'-((tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)imino)bis-, dimethanesulfonate (ester), P-oxideRefChem:234651DTXSID60958795[(2-Oxo-1,3,2lambda~5~-oxazaphosphinan-2-yl)azanediyl]di(propane-3,1-diyl) dimethanesulfonate

Database identifiers

CAS: 37752-30-0
PubChem CID: 216845
DTXSID: DTXSID60958795

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 145 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 10
Rotatable bonds: 11
Heavy atoms: 24
Formal charge: 0
Complexity: 585

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