Basic information
- CAS
67307-84-0- Standard SMILES
CC1(C)O[C@H]2[C@@H](O1)[C@H]1CO[C@H](O1)[C@@H]2OC(=O)c1ccccc1- InChIKey
XROOSVMIBOCEOO-NLRWUALESA-N- Molecular formula
- C16H18O6
- Average molar mass
- 306.31 g/mol
- Monoisotopic mass
- 306.11033829
Names & identifiers
- Preferred name
- [(1R,2S,6S,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl] benzoate
- IUPAC
- [(1R,2S,6S,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl] benzoate
- English name
- 1,6-ANHYDRO-2,O-BENZOYL-3,4-O-ISOPROPYLIDENE-BETA-D-GALACTOPYRANOSE
- Molecular formula
- C16H18O6
- Molecular weight
- 306.31
Names & synonyms
67307-84-01,6-ANHYDRO-2,O-BENZOYL-3,4-O-ISOPROPYLIDENE-SS-D-GALACTOPYRANOSE1,6-ANHYDRO-2,O-BENZOYL-3,4-O-ISOPROPYLIDENE-BETA-D-GALACTOPYRANOSEβ-D-Galactopyranose, 1,6-anhydro-3,4-O-(1-methylethylidene)-, benzoate (9CI)
Database identifiers
- CAS
67307-84-0- PubChem CID
- 10018016
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Boiling point
- 413.7 · 413.7±45.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
PARAGOS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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