Basic information
- CAS
58484-20-1- Standard SMILES
O=NN(CCCl)C(=O)NC1C(O)C(O)C(O)C(O)C1O- InChIKey
DKSKVMFAIUVFEW-UHFFFAOYSA-N- Molecular formula
- C9H16ClN3O7
- Average molar mass
- 313.69 g/mol
- Monoisotopic mass
- 313.0676776
Names & identifiers
- Preferred name
- N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,5,6-pentahydroxycyclohexyl)carbamimidic acid
- IUPAC
- 1-(2-chloroethyl)-1-nitroso-3-(2,3,4,5,6-pentahydroxycyclohexyl)urea
Names & synonyms
58484-20-1DTXSID20974032N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,5,6-pentahydroxycyclohexyl)carbamimidic acidRefChem:1091021DTXCID501401470scyllo-Inositol, 1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-1-deoxy-scyllo-Inositol, 1-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-1-deoxy-NSC 275618BRN 2896043NSC2756181-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-1-deoxy-scyllo-inositolNSC-275618
Show more names
Replaced CAS registry number(s): 59092-02-3
Database identifiers
- CAS
58484-20-1- PubChem CID
- 99941
- DTXSID
DTXSID20974032
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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