Basic information
- CAS
5345-83-5- Standard SMILES
OCC(O)C1OCOC(C(O)CO)C1O- InChIKey
ZQQVXOCXYXTYRF-UHFFFAOYSA-N- Molecular formula
- C8H16O7
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.08960285
Names & identifiers
- Preferred name
- 3,5-O-Methylene-meso-glycero-gulo-heptitol
- IUPAC
- 1-[6-(1,2-dihydroxyethyl)-5-hydroxy-1,3-dioxan-4-yl]ethane-1,2-diol
Names & synonyms
MLS0026375893,5-O-METHYLENE-MESO-GLYCERO-GULO-HEPTITOL5345-83-5NSC17513,5-O-MethylideneheptitolSCHEMBL6676538CHEMBL1876622DTXSID00968136HMS3091L05NSC-1751SMR001547119
Database identifiers
- CAS
5345-83-5- PubChem CID
- 219931
- DTXSID
DTXSID00968136- ChEMBL
CHEMBL1876622
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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