1-Pentanesulfonic acid, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)ethyl ester, P-oxide
Basic information
- CAS
37752-44-6- Standard SMILES
CCCCCS(=O)(=O)OCCNP1(=O)OCCCN1CCCl- InChIKey
YUDPVYSCZFNMJQ-UHFFFAOYSA-N- Molecular formula
- C12H26ClN2O5PS
- Average molar mass
- 376.84 g/mol
- Monoisotopic mass
- 376.0988578
Names & identifiers
- Preferred name
- 1-Pentanesulfonic acid, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)ethyl ester, P-oxide
- IUPAC
- 2-[[3-(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-yl]amino]ethyl pentane-1-sulfonate
- English name
- 1-Pentanesulfonic acid, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxaza phosphorin-2-yl)amino)ethyl ester, P-oxide
- Molecular formula
- C12H26ClN2O5PS
- Molecular weight
- 376.839
Names & synonyms
ASTA 578337752-44-6BRN 10874811-Pentanesulfonic acid, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)ethyl ester, P-oxideRefChem:232900DTXSID509588052-{[3-(2-Chloroethyl)-2-oxo-1,3,2lambda~5~-oxazaphosphinan-2-yl]amino}ethyl pentane-1-sulfonate1-Pentanesulfonic acid, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxaza phosphorin-2-yl)amino)ethyl ester, P-oxide
Database identifiers
- CAS
37752-44-6- PubChem CID
- 216855
- DTXSID
DTXSID50958805
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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