Phosphoric acid--estra-1(10),2,4-triene-3,17-diol (1/1)
Basic information
- CAS
9009-22-7- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.O=P(O)(O)O- InChIKey
DGPHKOYFSODERC-CMZLOHJFSA-N- Molecular formula
- C18H27O6P
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.15452557
Names & identifiers
- Preferred name
- Phosphoric acid--estra-1(10),2,4-triene-3,17-diol (1/1)
- IUPAC
- (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;phosphoric acid
- English name
- Leo 114
- Molecular formula
- C18H27O6P
- Molecular weight
- 370.377141
Names & synonyms
Phosphoric acid--estra-1(10),2,4-triene-3,17-diol (1/1)SCHEMBL152688SCHEMBL29631760DTXSID2010091489009-22-7Phosphoric acid--(17S)-estra-1(10),2,4-triene-3,17-diol (1/1)(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;phosphoric acidLeo 114EstradurinFosfato de poliestradiolEstradiol phosphate polymerFosfato de poliestradiol [inn-spanish]
Show more names
Oestradiol polyester with phosphoric acidEstradiol, polyester with phosphoric acid(17-beta)-Estra-1,3,5(10)-triene-3,17-diol polymer with phosphoric acidEstra-1,3,5(10)-triene-3,17 diol (17-beta)-, polymer with phosporic acid
Database identifiers
- CAS
9009-22-7- PubChem CID
- 68579
- DTXSID
DTXSID201009148
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 14877 CDX2 · P14877CDX2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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