Basic information
- CAS
5345-81-3- Standard SMILES
OCC(O)C1OC(c2ccccc2)OC(C(O)CO)C1O- InChIKey
DWZYXBVHBFMEFT-UHFFFAOYSA-N- Molecular formula
- C14H20O7
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.12090297
Names & identifiers
- Preferred name
- 3,5-O-Benzylidene-meso-glycero-gulo-heptitol
- IUPAC
- 1-[6-(1,2-dihydroxyethyl)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
Names & synonyms
5345-81-3NSC17493,5-O-BENZYLIDENE-MESO-GLYCERO-GULO-HEPTITOL3,5-O-BenzylideneheptitolDTXSID40968135NSC-1749
Database identifiers
- CAS
5345-81-3- PubChem CID
- 219929
- DTXSID
DTXSID40968135
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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