Basic information
- CAS
71734-90-2- Standard SMILES
OCC1OC(n2cnc3c2CCCC3)C(O)C1O- InChIKey
LXNGSSVVNBOLTH-UHFFFAOYSA-N- Molecular formula
- C12H18N2O4
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.12665706
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)oxolane-3,4-diol
- IUPAC
- 2-(hydroxymethyl)-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)oxolane-3,4-diol
- English name
- 2-(hydroxymethyl)-5-(4,5,6,7-tetrahydrobenzoimidazol-1-yl)oxolane-3,4- diol
- Molecular formula
- C12H18N2O4
- Molecular weight
- 254.28
Names & synonyms
71734-90-2NSC297558DTXSID70315815AG-G-81424NSC-2975581-Pentofuranosyl-4,5,6,7-tetrahydro-1H-1,3-benzimidazole1H-Benzimidazole, 4,5,6,7-tetrahydro-1-α-D-ribofuranosyl-2-(hydroxymethyl)-5-(4,5,6,7-tetrahydrobenzoimidazol-1-yl)oxolane-3,4- diol
Database identifiers
- CAS
71734-90-2- PubChem CID
- 326359
- DTXSID
DTXSID70315815
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 594.404 · 594.404±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.65 · 1.650±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.365 · 13.365±0.70(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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