(1s,4Ar,5s,7as)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl hexopyranoside
Basic information
- CAS
4892-48-2- Standard SMILES
OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](OC3OC(CO)C(O)C(O)C3O)[C@H]12- InChIKey
RJWJHRPNHPHBRN-MBUGLWNOSA-N- Molecular formula
- C15H22O9
- Average molar mass
- 346.33 g/mol
- Monoisotopic mass
- 346.12638228
Names & identifiers
- Preferred name
- (1s,4Ar,5s,7as)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl hexopyranoside
- IUPAC
- 2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
NSC648500(1s,4ar,5s,7as)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl hexopyranosideSCHEMBL22680274DTXSID90327354NSC-648500.beta.-D-Glucopyranoside,4a,5,7a-tetrahydro-5-hydroxy-7- (hydroxymethyl)cyclopenta[c]pyran-1-yl, [1S-(1.alpha.,4a.alpha.,5.alpha.,7a.alpha)]-
Database identifiers
- CAS
4892-48-2- PubChem CID
- 372840
- DTXSID
DTXSID90327354
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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