7-Oxabicyclo(4.1.0)heptane-2,3,4,5-tetrol

HCID 2859

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Basic information

CAS: 23559-36-6
Standard SMILES: OC1C(O)C(O)C2OC2C1O
InChIKey: ZHMWOVGZCINIHW-UHFFFAOYSA-N
Molecular formula: C6H10O5
Average molar mass: 162.14 g/mol
Monoisotopic mass: 162.05282342

Overview

Conduritol epoxide is an epoxide resulting from the epoxidation of the double bond of a conduritol. It is a cyclitol, an epoxide and a tetrol. It is functionally related to a conduritol.

Names & identifiers

Preferred name: 7-Oxabicyclo(4.1.0)heptane-2,3,4,5-tetrol
IUPAC: 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol

Names & synonyms

7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrolDTXSID908599487-Oxabicyclo(4.1.0)heptane-2,3,4,5-tetrolRefChem:1074536DTXCID50209884Conduritol epoxide23559-36-61,2-Anhydro-3,4,5,6-alloinositol(+/-) Conduritol B epoxide.alpha.-Epoxyconduritol-eSCHEMBL613363CHEMBL174067

Show more names

orb1217822DL -1,2-Anhydro-myo-inositolCHEBI:67235NSC55556NSC 55556NSC-55556Q27135708

Database identifiers

CAS: 23559-36-6
PubChem CID: 2859
DTXSID: DTXSID90859948
ChEMBL: CHEMBL174067
ChEBI: CHEBI:67235

Properties

Computed structural properties

XLogP: -2.7
Topological polar surface area: 93.5 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 154

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Compound notes

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