(1R,2R,6R,8S)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-9,9-diol
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Basic information
- CAS
503547-48-6- Standard SMILES
CC1(C)O[C@H]2O[C@H]3[C@H](OCC3(O)O)[C@H]2O1- InChIKey
VATMLGSQZJDGQJ-MVIOUDGNSA-N- Molecular formula
- C9H14O6
- Average molar mass
- 218.2 g/mol
Names & identifiers
- Preferred name
- (1R,2R,6R,8S)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-9,9-diol
- IUPAC
- (1R,2R,6R,8S)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-9,9-diol
- English name
- alpha-D-xylo-Hexofuranos-5-ulose, 3,6-anhydro-1,2-O-(1-methylethylidene)-, 5-hydrate (9CI)
- Molecular formula
- C9H14O6
- Molecular weight
- 218.2
Names & synonyms
α-D-xylo-Hexofuranos-5-ulose, 3,6-anhydro-1,2-O-(1-methylethylidene)-, 5-hydrate (9CI)alpha-D-xylo-Hexofuranos-5-ulose, 3,6-anhydro-1,2-O-(1-methylethylidene)-, 5-hydrate (9CI)
Database identifiers
- CAS
503547-48-6
Properties
Computed structural propertiesFilling in
- XLogP
- -1.4
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
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Compound notes
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