beta-D-Galactopyranoside, (3beta,5alpha,25R)-spirostan-3-yl 6-deoxy-
Completing data — refresh the page later to see the latest
Basic information
- CAS
69292-68-8- Standard SMILES
C[C@@H]1CC[C@@]2(OC1)O[C@H]1CC3C4CCC5CC(O[C@@H]6O[C@@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)[C@H]1[C@@H]2C- InChIKey
DFKNLZAVFFVGTH-LHIXXBLUSA-N- Molecular formula
- C33H54O7
- Average molar mass
- 562.8 g/mol
- Monoisotopic mass
- 562.38695406
Names & identifiers
- Preferred name
- beta-D-Galactopyranoside, (3beta,5alpha,25R)-spirostan-3-yl 6-deoxy-
- IUPAC
- (2S,3R,4S,5R,6R)-2-methyl-6-[(4S,5'R,6R,7S,8R,9S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol
- English name
- alpha-L-Mannopyranoside, (3beta,5alpha,25R)-spirostan-3-yl 6-deoxy-
- Molecular formula
- C33H54O7
- Molecular weight
- 562.78
Names & synonyms
69292-68-8beta-D-Galactopyranoside, (3beta,5alpha,25R)-spirostan-3-yl 6-deoxy-DTXSID30989016alpha-L-Mannopyranoside, (3beta,5alpha,25R)-spirostan-3-yl 6-deoxy-Spirostan-3-yl 6-deoxyhexopyranoside69292-69-9(8xi,9xi,14xi,25R)-spirostan-3-yl 6-deoxy-alpha-L-altropyranoside
Database identifiers
- CAS
69292-68-8、69292-69-9- PubChem CID
- 155284
- DTXSID
DTXSID30989016
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 961
Physicochemical properties
- Boiling point
- 660.146 · 660.146±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.219 · 1.219±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.043 · 13.043±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…