1-Oxaspiro[2.5]octane-4,5,6,7,8-pentol

HCID 97833

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2635-67-8
Standard SMILES: OC1C(O)C(O)C2(CO2)C(O)C1O
InChIKey: AWCFPDQAULWFNH-UHFFFAOYSA-N
Molecular formula: C7H12O6
Average molar mass: 192.17 g/mol
Monoisotopic mass: 192.0633881

Names & identifiers

Preferred name: 1-Oxaspiro[2.5]octane-4,5,6,7,8-pentol
IUPAC: 1-oxaspiro[2.5]octane-4,5,6,7,8-pentol

Names & synonyms

2-oxaspiro[2.5]octane-4,5,6,7,8-pentol1-oxaspiro[2.5]octane-4,5,6,7,8-pentolNSC56407NSC-45109DTXSID70961058NSC45109NSC-56407myo-Inositol,21-anhydro-2-C-(hydroxymethyl)-Inositol,21-anhydro-2-C-(hydroxymethyl)-, myo-

Database identifiers

CAS: 2635-67-8、4068-87-5、52882-07-2
PubChem CID: 97833
DTXSID: DTXSID70961058

Properties

Computed structural properties

XLogP: -3.6
Topological polar surface area: 114 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 203

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…