Cholest-5-ene-3,22,26-tetrol
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Basic information
- CAS
55925-28-5- Standard SMILES
CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C- InChIKey
HJMSZKKOQIZOLJ-UHFFFAOYSA-N- Molecular formula
- C27H46O4
- Average molar mass
- 434.7 g/mol
- Monoisotopic mass
- 434.33960994
Names & identifiers
- Preferred name
- Cholest-5-ene-3,22,26-tetrol
- IUPAC
- 17-(3,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
- English name
- Cholest-5-ene-3,16,22,26-tetrol
- Molecular formula
- C27H46O4
- Molecular weight
- 434.65
Names & synonyms
NSC231789Cholest-5-ene-3,22,26-tetrolNSC-231789Cholest-5-ene-3,16,22,26-tetrolCholest-5-ene-3,16,22,26-tetrol (9CI)
Database identifiers
- CAS
55925-28-5- PubChem CID
- 314378
- DTXSID
DTXSID90971351
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 676
Physicochemical properties
- Boiling point
- 606.6 · 606.6±50.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 14.94 · 14.94±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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