Estrone phosphate
Basic information
- CAS
1240-03-5- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(OP(=O)(O)O)cc4CC[C@H]3[C@@H]1CCC2=O- InChIKey
XYNRXDLLYXFCRS-CBZIJGRNSA-N- Molecular formula
- C18H23O5P
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 350.12831083
Names & identifiers
- Preferred name
- Estrone phosphate
- IUPAC
- [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
Names & synonyms
Estrone phosphate52ZYE9C9X9ESTRONE 3-PHOSPHATE1240-03-5Estra-1,3,5(10)-trien-17-one, 3-(phosphonooxy)-ESTRONE, DIHYDROGEN PHOSPHATENSC-18320RefChem:137958O3-PHOSPHONOESTRONE3-(Phosphonooxy)estra-1,3,5(10)-trien-17-oneUNII-52ZYE9C9X917-oxoestra-1,3,5(10)-trien-3-yl dihydrogen phosphate
Show more names
SCHEMBL5526561CHEMBL1232577DTXSID60924677NCI60_001526Q2746006017-Oxoestra-1(10),2,4-trien-3-yl dihydrogen phosphate
Database identifiers
- CAS
1240-03-5- PubChem CID
- 445419
- DTXSID
DTXSID60924677- ChEMBL
CHEMBL1232577- UNII
- 52ZYE9C9X9
- Nikkaji
- J540.503C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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