26-Hydroxycholesterol disulfate
Basic information
- CAS
107241-08-7- Standard SMILES
CC(CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C)COS(=O)(=O)O- InChIKey
CKKZPKHJVOCGKH-CYWZQEKTSA-N- Molecular formula
- C27H46O8S2
- Average molar mass
- 562.8 g/mol
- Monoisotopic mass
- 562.26341077
Overview
diester
Names & identifiers
- Preferred name
- 26-Hydroxycholesterol disulfate
- IUPAC
- [(8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methyl-7-sulfooxyheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
- English name
- 26-hydroxycholesterol disulfate
- Molecular weight
- 0
Names & synonyms
26-Hydroxycholesterol disulfate107241-08-7RefChem:89948[(8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methyl-7-sulfooxyheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfateDTXSID60910272Cholest-5-ene-3,26-diyl bis(hydrogen sulfate)17alpha-Cholest-5-ene-3,26-diyl bis(hydrogen sulfate)
Database identifiers
- CAS
107241-08-7- PubChem CID
- 147109
- DTXSID
DTXSID60910272
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,060
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Related reactions
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Compound notes
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