W5RQ55ZQ2J

HCID 10072875

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Basic information

CAS: 133211-19-5
Standard SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey: HLPLRASSAVUVIN-WXZIMHIRSA-N
Molecular formula: C25H46O7
Average molar mass: 458.6 g/mol
Monoisotopic mass: 458.3243538

Names & identifiers

Preferred name: W5RQ55ZQ2J
IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl (Z)-octadec-9-enoate

Names & synonyms

W5RQ55ZQ2JUNII-W5RQ55ZQ2J133211-19-5Methyl alpha-D-glucopyranoside 6-oleate((2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-methoxyoxan-2-yl)methyl (Z)-octadec-9-enoatealpha-D-Glucopyranoside, methyl, 6-(9Z)-9-octadecenoatealpha-D-Glucopyranoside, methyl, 6-(9-octadecenoate), (Z)-METHYL .ALPHA.-D-GLUCOPYRANOSIDE 6-OLEATE.ALPHA.-D-GLUCOPYRANOSIDE, METHYL, 6-(9Z)-9-OCTADECENOATE.ALPHA.-D-GLUCOPYRANOSIDE, METHYL, 6-(9-OCTADECENOATE), (Z)-

Database identifiers

CAS: 133211-19-5
PubChem CID: 10072875
UNII: W5RQ55ZQ2J
Nikkaji: J660.482J

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 105 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 19
Heavy atoms: 32
Formal charge: 0
Complexity: 497

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