1-Deoxy-2,5-O-methylenehexitol
Basic information
- CAS
5399-33-7- Standard SMILES
CC1OCOC(CO)C(O)C1O- InChIKey
ZYYQJKXJTWQPJN-UHFFFAOYSA-N- Molecular formula
- C7H14O5
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.08412355
Names & identifiers
- Preferred name
- 1-Deoxy-2,5-O-methylenehexitol
- IUPAC
- 4-(hydroxymethyl)-7-methyl-1,3-dioxepane-5,6-diol
Names & synonyms
1-Deoxy-2,5-O-methylenehexitol5399-33-7NSC13522,5-Methylene-d,l-rhamnitolSCHEMBL6672320DTXSID90277244ZYYQJKXJTWQPJN-UHFFFAOYSA-N1-deoxy-2,5-O-methylidenehexitolNSC-13521-Deoxy-2,5-O-methylenehexitol #NSC403946NSC403948
Show more names
NSC-403946NSC-4039486-DEOXY-2,5-O-METHYLENE-L-MANNITOL
Database identifiers
- CAS
5399-33-7- PubChem CID
- 219698
- DTXSID
DTXSID90277244
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
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Compound notes
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