Basic information
- CAS
5328-46-1- Standard SMILES
CC(O)C(O)C(O)C(O)C(O)CO- InChIKey
CCLARULDIPFTCP-UHFFFAOYSA-N- Molecular formula
- C7H16O6
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.09468823
Names & identifiers
- Preferred name
- 1-Deoxyheptitol
- IUPAC
- heptane-1,2,3,4,5,6-hexol
Names & synonyms
1-deoxyheptitol5328-46-1DTXSID70277368RefChem:229927DTXCID602285261-DEOXY-D-GLYCERO-D-GULO-HEPTITOLNSC1952SCHEMBL2915602SCHEMBL9008188SCHEMBL117532391,2,3,4,5,6-hexahydroxyheptaneNSC-1952
Show more names
7-Deoxy-D-glycero-D-gluco-heptitolMD163339
Database identifiers
- CAS
5328-46-1- PubChem CID
- 219977
- DTXSID
DTXSID70277368
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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