Basic information
- CAS
104202-88-2- Standard SMILES
CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2OC(=O)CC- InChIKey
QKLDCEYHDKPVDK-PRIYMHJNSA-N- Molecular formula
- C24H32O5
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.22497412
Overview
potential long-acting estrogen that releases estriol upon hydrolysis
Names & identifiers
- Preferred name
- Estriol 3,17-dipropionate
- IUPAC
- [(8R,9S,13S,14S,16R,17R)-16-hydroxy-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
- English name
- estriol 3,17-dipropionate
- Molecular weight
- 0
Names & synonyms
Estriol 3,17-dipropionateE3-Prop104202-88-2AYW6G49M3SESTRIOL DIPROPIONATEDTXSID30908868RefChem:137942DTXCID001337941UNII-AYW6G49M3SSCHEMBL6331808SCHEMBL32662774ESTRIOL 3,17.BETA.-DIPROPIONATE
Show more names
16-Hydroxy-16alpha,17beta-estra-1(10),2,4-triene-3,17-diyl dipropanoateSTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, 3,17-DIPROPANOATE, (16.ALPHA.,17.BETA.)-
Database identifiers
- CAS
104202-88-2- PubChem CID
- 128508
- DTXSID
DTXSID30908868- UNII
- AYW6G49M3S
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 633
Physicochemical properties
- FDA UNII
- 6 G49M3S · AYW6G49M3S
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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