Basic information
- CAS
15324-65-9- Standard SMILES
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2C3CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)C3CC[C@@]21C- InChIKey
HSNPMXROZIQAQD-IMWDAPHRSA-N- Molecular formula
- C26H45NO8S2
- Average molar mass
- 563.8 g/mol
- Monoisotopic mass
- 563.25865974
Names & identifiers
- Preferred name
- 2-[[(4R)-4-[(3R,5R,10S,13R,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
- IUPAC
- 2-[[(4R)-4-[(3R,5R,10S,13R,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Database identifiers
- CAS
15324-65-9- PubChem CID
- 72205
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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