Estradiol Phosphate
Basic information
- CAS
34828-67-6- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O- InChIKey
BBWXLCKRYRQQPL-ZBRFXRBCSA-N- Molecular formula
- C18H25O5P
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.14396089
Names & identifiers
- Preferred name
- Estradiol Phosphate
- IUPAC
- [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] dihydrogen phosphate
- English name
- POLY(ESTRADIOL PHOSPHATE)
- Molecular formula
- C18H24O8P2X2
- Molecular weight
- 352.36
Names & synonyms
Estradiol phosphateEstradiol 17-phosphate4995-43-1DTXSID6045086UNII-SKL7PDP588SKL7PDP588DTXCID4025086Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 17-(dihydrogen phosphate)Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-(dihydrogen phosphate)RefChem:137921CHEMBL1642763[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] dihydrogen phosphate
Show more names
POLY(ESTRADIOL PHOSPHATE)POLY(ESTRADIOL PHOSPHATE) USP/EP/BP17-beta-Estra 1,3,5(10)-triene-3,17-diol, 17-dihydrogen phosphate, homopolymer
SCHEMBL1526469Tox21_110018BDBM50333647NCGC00013235-01NCI60_001525CAS-4995-43-1NS00006150Q27289257
Database identifiers
- CAS
34828-67-6、4995-43-1- PubChem CID
- 66435
- DTXSID
DTXSID6045086- ChEMBL
CHEMBL1642763- UNII
- SKL7PDP588
- EC Number
- 690-735-9
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 534
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 14877 CDX2 · P14877CDX2
- ATC code
- 2 AA02 · L02AA02
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Suppliers
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Related reactions
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Compound notes
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