3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose
Basic information
- CAS
81428-46-8- Standard SMILES
O=NN(CCCl)C(=O)NC1C(O)[C@H](O)OC(CO)[C@H]1O- InChIKey
ZKTZGYZXXCOLPV-UKPHHSARSA-N- Molecular formula
- C9H16ClN3O7
- Average molar mass
- 313.69 g/mol
- Monoisotopic mass
- 313.0676776
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose
- IUPAC
- 1-(2-chloroethyl)-1-nitroso-3-[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]urea
Names & synonyms
3-(3-(2-Chloroethyl)-3-nitrosoureido)-3-deoxyallose81428-46-8CNUARefChem:922771-(2-chloroethyl)-1-nitroso-3-[(2R,5S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]ureaDTXSID4010019883-({[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}amino)-3-deoxyhexopyranose3-({[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}amino)-3-deoxy-beta-D-glycero-hexopyranose
Database identifiers
- CAS
81428-46-8- PubChem CID
- 54748
- DTXSID
DTXSID401001988
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…