Phosphoric acid, diethyl ester, ester with 15,16-dihydro-11-hydroxy-17H-cyclopenta(a)phenanthren-17-one
Basic information
- CAS
30835-59-7- Standard SMILES
CCOP(=O)(OCC)Oc1cc2c(c3ccc4ccccc4c13)CCC2=O- InChIKey
GHKKPVDTZLCJHC-UHFFFAOYSA-N- Molecular formula
- C21H21O5P
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.11266076
Names & identifiers
- Preferred name
- Phosphoric acid, diethyl ester, ester with 15,16-dihydro-11-hydroxy-17H-cyclopenta(a)phenanthren-17-one
- IUPAC
- diethyl (17-oxo-15,16-dihydrocyclopenta[a]phenanthren-11-yl) phosphate
Names & synonyms
30835-59-7Phosphoric acid, diethyl ester, ester with 15,16-dihydro-11-hydroxy-17H-cyclopenta(a)phenanthren-17-one17H-Cyclopenta(a)phenanthren-17-one, 15,16-dihydro-11-hydroxy-7-methyl-, diethyl phosphateDTXSID10184845diethyl 17-oxogona-1(10),2,4,6,8(14),9(11),12-heptaen-11-yl phosphate
Database identifiers
- CAS
30835-59-7- PubChem CID
- 182013
- DTXSID
DTXSID10184845
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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