beta-D-arabino-Hexopyranoside, (3beta,14beta)-3,14-dihydroxypregn-5-en-20-yl 2,6-dideoxy-
Basic information
- CAS
83108-09-2- Standard SMILES
CC(O[C@@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1)[C@H]1CC[C@]2(O)C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C- InChIKey
HHWXURULCVOKKI-FSNLZLHHSA-N- Molecular formula
- C27H44O6
- Average molar mass
- 464.6 g/mol
- Monoisotopic mass
- 464.31378912
Names & identifiers
- Preferred name
- beta-D-arabino-Hexopyranoside, (3beta,14beta)-3,14-dihydroxypregn-5-en-20-yl 2,6-dideoxy-
- IUPAC
- (2R,3S,4R,6S)-6-[1-[(10R,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyloxane-3,4-diol
Names & synonyms
83108-09-2beta-D-arabino-Hexopyranoside, (3beta,14beta)-3,14-dihydroxypregn-5-en-20-yl 2,6-dideoxy-DTXSID2010031143,14-Dihydroxypregn-5-en-20-yl 2,6-dideoxyhexopyranoside(8xi,9xi)-3,14-Dihydroxy-14beta-pregn-5-en-20-yl 2,6-dideoxy-alpha-D-arabino-hexopyranoside
Database identifiers
- CAS
83108-09-2- PubChem CID
- 158307
- DTXSID
DTXSID201003114
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 785
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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