1,5:3,4-Dianhydro-2-deoxy-3-methylpentitol

HCID 3077451

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Basic information

CAS: 134309-95-8
Standard SMILES: CC12CCOCC1O2
InChIKey: GBRYJLRRPQMVTN-UHFFFAOYSA-N
Molecular formula: C6H10O2
Average molar mass: 114.14 g/mol
Monoisotopic mass: 114.06807956

Names & identifiers

Preferred name: 1,5:3,4-Dianhydro-2-deoxy-3-methylpentitol
IUPAC: 6-methyl-3,7-dioxabicyclo[4.1.0]heptane
English name: D-erythro-Pentitol, 1,5:3,4-dianhydro-2-deoxy-3-C-methyl- (9CI)
Molecular formula: C6H10O2
Molecular weight: 114.14

Names & synonyms

DTXSID309285611,5:3,4-Dianhydro-2-deoxy-3-methylpentitolRefChem:1053479DTXCID9013573264-Methyl-3,4-epoxytetrahydropyran134309-95-81,5:3,4-Dianhydro-2-deoxy-3-C-methyl-D-erythro-pentitolD-erythro-Pentitol, 1,5:3,4-dianhydro-2-deoxy-3-C-methyl-6-methyl-3,7-dioxabicyclo[4.1.0]heptaneSCHEMBL5139680D-erythro-Pentitol, 1,5:3,4-dianhydro-2-deoxy-3-C-methyl- (9CI)D-erythro-Pentitol, 1,5:3,4-dianhydro-2-deoxy-3-C-methyl- (9CI)

Database identifiers

CAS: 134309-95-8
PubChem CID: 3077451
DTXSID: DTXSID30928561
Nikkaji: J1.699.506A

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 21.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 113

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