24,24-Difluoro-5beta-cholestane-3alpha,25-diol

HCID 70565201
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Basic information

Standard SMILES
C[C@H](CCC(F)(F)C(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
GLOIRRIHTGYWFR-GBURMNQMSA-N
Molecular formula
C27H46F2O2
Average molar mass
440.6 g/mol
Monoisotopic mass
440.34658703

Names & identifiers

Preferred name
24,24-Difluoro-5beta-cholestane-3alpha,25-diol
IUPAC
(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-5,5-difluoro-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Names & synonyms

SCHEMBL11331889GLOIRRIHTGYWFR-GBURMNQMSA-N24,24-difluoro-5beta-cholestane-3alpha,25-diol

Database identifiers

PubChem CID
70565201

Properties

Computed structural properties

XLogP
7.7
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
31

Related reactions

1 records
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Compound notes

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