(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,2R,4S,6R)-6-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol

HCID 10782800

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Basic information

CAS: 217960-81-1
Standard SMILES: CC1(C)[C@@H]2C[C@@H](O)[C@@](C)(C2)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: ZXTOJNKDXKFQAG-JCOUTPFTSA-N
Molecular formula: C16H28O7
Average molar mass: 332.39 g/mol
Monoisotopic mass: 332.18350323

Names & identifiers

Preferred name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,2R,4S,6R)-6-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol
IUPAC: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,2R,4S,6R)-6-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxane-3,4,5-triol

Names & synonyms

DTXSID701132099217960-81-1(1R,2R,4S,6R)-6-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl I(2)-D-glucopyranoside(1R,2R,4S,6R)-6-Hydroxy-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl beta-D-glucopyranoside

Database identifiers

CAS: 217960-81-1
PubChem CID: 10782800
DTXSID: DTXSID701132099
Nikkaji: J1.005.566K

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 120 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 456

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