1-Propanol, 3,3'-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)imino)bis-, dimethanesulfonate (ester), P-oxide
Basic information
- CAS
37752-32-2- Standard SMILES
CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)P1(=O)OCCCN1CCCl- InChIKey
CPMUZAHZMMONPM-UHFFFAOYSA-N- Molecular formula
- C13H28ClN2O8PS2
- Average molar mass
- 470.9 g/mol
- Monoisotopic mass
- 470.0713229
Names & identifiers
- Preferred name
- 1-Propanol, 3,3'-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)imino)bis-, dimethanesulfonate (ester), P-oxide
- IUPAC
- 3-[[3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]-(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate
Names & synonyms
37752-32-2BRN 10941251-Propanol, 3,3'-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)imino)bis-, dimethanesulfonate (ester), P-oxideRefChem:234648((3-(2-Chloroethyl)-2-oxido-1,3,2-oxazaphosphinan-2-yl)azanediyl)bis(propane-3,1-diyl) dimethanesulfonateDTXSID20958796{[3-(2-Chloroethyl)-2-oxo-1,3,2lambda~5~-oxazaphosphinan-2-yl]azanediyl}di(propane-3,1-diyl) dimethanesulfonate
Database identifiers
- CAS
37752-32-2- PubChem CID
- 216846
- DTXSID
DTXSID20958796
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 652
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Compound notes
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