Ethanesulfonic acid, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)ethyl ester, P-oxide
Basic information
- CAS
37752-36-6- Standard SMILES
CCS(=O)(=O)OCCNP1(=O)OCCCN1CCCl- InChIKey
IVWXQCZTRNJYJT-UHFFFAOYSA-N- Molecular formula
- C9H20ClN2O5PS
- Average molar mass
- 334.76 g/mol
- Monoisotopic mass
- 334.0519076
Names & identifiers
- Preferred name
- Ethanesulfonic 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 ethanesulfonate
Names & synonyms
ASTA 5607BRN 108539937752-36-6Ethanesulfonic acid, 2-((3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-yl)amino)ethyl ester, P-oxideRefChem:340183DTXSID509588002-{[3-(2-Chloroethyl)-2-oxo-1,3,2lambda~5~-oxazaphosphinan-2-yl]amino}ethyl ethanesulfonate
Database identifiers
- CAS
37752-36-6- PubChem CID
- 216850
- DTXSID
DTXSID50958800
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 413
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Compound notes
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