1-Pentofuranosyl-4,7-dihydro-1H-1,3-diazepin-2-ol
Basic information
- CAS
75421-11-3- Standard SMILES
O=C1NCC=CCN1C1OC(CO)C(O)C1O- InChIKey
HBBIVXDEBCKFIZ-UHFFFAOYSA-N- Molecular formula
- C10H16N2O5
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.10592162
Names & identifiers
- Preferred name
- 1-Pentofuranosyl-4,7-dihydro-1H-1,3-diazepin-2-ol
- IUPAC
- 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,7-dihydro-1H-1,3-diazepin-2-one
Names & synonyms
SCHEMBL583301DTXSID10996869NSC322096NSC-3220961-Pentofuranosyl-4,7-dihydro-1H-1,3-diazepin-2-ol
Database identifiers
- CAS
75421-11-3- PubChem CID
- 331287
- DTXSID
DTXSID10996869
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…