[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen phosphate
Basic information
- CAS
74517-57-0- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O- InChIKey
UCEAXHQPVSNSCG-WVOFBCJUSA-N- Molecular formula
- C30H42N3O10P
- Average molar mass
- 635.6 g/mol
- Monoisotopic mass
- 635.26078154
Names & identifiers
- Preferred name
- [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen phosphate
- IUPAC
- [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen phosphate
Names & synonyms
NSC34243374517-57-0DTXSID70319232NSC-3424334-Amino-1-(5-O-{[(3,20-dioxopregn-4-en-21-yl)oxy](hydroxy)phosphoryl}pentofuranosyl)pyrimidin-2(1H)-one
Database identifiers
- CAS
74517-57-0- PubChem CID
- 334934
- DTXSID
DTXSID70319232
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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