Basic information
- CAS
1259-02-5- Standard SMILES
CC(CCCOS(C)(=O)=O)C1CCC2C3CCC4CCCCC4(C)C3CC(OS(C)(=O)=O)C12C- InChIKey
DYOLRXLUWYGVTA-UHFFFAOYSA-N- Molecular formula
- C26H46O6S2
- Average molar mass
- 518.8 g/mol
- Monoisotopic mass
- 518.27358153
Names & identifiers
- Preferred name
- Cholane-12,24-diyl dimethanesulfonate
- IUPAC
- 4-(10,13-dimethyl-12-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentyl methanesulfonate
Names & synonyms
1259-02-5cholane-12,24-diyl dimethanesulfonateNSC67659DTXSID70925312NSC-67659
Database identifiers
- CAS
1259-02-5- PubChem CID
- 249376
- DTXSID
DTXSID70925312
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 935
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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