Basic information
- CAS
97139-56-5- Standard SMILES
NC(=O)N(O)[C@H]1CCO[P@@](=O)(N(CCCl)CCCl)N1- InChIKey
NEHSQHPPBUJKKZ-ZDVLTJLQSA-N- Molecular formula
- C8H17Cl2N4O4P
- Average molar mass
- 335.12 g/mol
- Monoisotopic mass
- 334.0364474
Names & identifiers
- Preferred name
- Urea, N-(2-(bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide, cis-
- IUPAC
- 1-[(2R,4R)-2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]-1-hydroxyurea
Names & synonyms
97139-56-5Urea, N-(2-(bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N-hydroxy-, P-oxide, cis-DTXSID80242709RefChem:387930DTXCID60165200N-{(2R,4R)-2-[Bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda~5~-oxazaphosphinan-4-yl}-N-hydroxyurea
Database identifiers
- CAS
97139-56-5- PubChem CID
- 44147641
- DTXSID
DTXSID80242709
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…