Biotinylestrone
Basic information
- CAS
81352-82-1- Standard SMILES
CC12CCC3c4ccc(OC(=O)CCCCC5SCC6NC(=O)NC65)cc4CCC3C1CCC2=O- InChIKey
WRCYWDZGUPLALM-VTRKXNCJSA-N- Molecular formula
- C28H36N2O4S
- Average molar mass
- 496.7 g/mol
- Monoisotopic mass
- 496.23957881
Names & identifiers
- Preferred name
- Biotinylestrone
- IUPAC
- (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoate
- English name
- biotinylestrone
- Molecular weight
- 0
Names & synonyms
BiotinylestroneBiotinyloestroneBiotin-estrone conjugate81352-82-1Estra-1,3,5(10)-trien-17-one, 3-((5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)oxy)-, (3(3aS,4S,6aR))-RefChem:119896DTXSID90100194517-Oxoestra-1(10),2,4-trien-3-yl 5-(2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanoate
Database identifiers
- CAS
81352-82-1- PubChem CID
- 83876
- DTXSID
DTXSID901001945
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 866
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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