17-alpha-Estradiol-17-beta-D-glucoside
Basic information
- CAS
25517-69-5- Standard SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CC[C@@H]2O[C@@H]1OC(CO)[C@@H](O)C(O)C1O- InChIKey
HLORHOWZWQKXIN-ODBNQKKBSA-N- Molecular formula
- C24H34O7
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.23045342
Names & identifiers
- Preferred name
- 17-alpha-Estradiol-17-beta-D-glucoside
- IUPAC
- (3S,6R)-2-(hydroxymethyl)-6-[[(17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-3,4,5-triol
Names & synonyms
17-alpha-Estradiol-17-beta-D-glucoside25517-69-517alpha-Estradiol-17beta-D-glucoside17-alpha-(beta-D-Glucopyranosyloxy)estra-1,3,5(10)-trien-3-olbeta-D-Glucopyranoside, (17-alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl-ESTRA-1,3,5(10)-TRIEN-3-OL, 17-alpha-(beta-D-GLUCOPYRANOSYLOXY)-DTXSID809484163-Hydroxyestra-1(10),2,4-trien-17-yl hexopyranoside3-Hydroxyestra-1(10),2,4-trien-17alpha-yl beta-D-glycero-hexopyranoside
Database identifiers
- CAS
25517-69-5- PubChem CID
- 33034
- DTXSID
DTXSID80948416
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 645
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Related reactions
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Compound notes
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