tetrakis(3,17-diacetoxyestra-1,3,5(10)-trien-2-carboxylato)dicopper(II)
Basic information
- CAS
137268-70-3- Standard SMILES
CC(=O)Oc1c(C(=O)[O-])ccc2c1CCC1C2CCC2(C)C(OC(C)=O)CCC12.CC(=O)Oc1c(C(=O)[O-])ccc2c1CCC1C2CCC2(C)C(OC(C)=O)CCC12.CC(=O)Oc1c(C(=O)[O-])ccc2c1CCC1C2CCC2(C)C(OC(C)=O)CCC12.CC(=O)Oc1cc(C(=O)[O-])cc2c1CCC1C2CCC2(C)C(OC(C)=O)CCC12.[Cu+2].[Cu+2]- InChIKey
ASHCVOFOZWGGIT-UHFFFAOYSA-J- Molecular formula
- C92H108Cu2O24
- Average molar mass
- 1,724.9 g/mol
- Monoisotopic mass
- 1,722.582249
Overview
structure given in first source
Names & identifiers
- Preferred name
- tetrakis(3,17-diacetoxyestra-1,3,5(10)-trien-2-carboxylato)dicopper(II)
- IUPAC
- dicopper;4,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carboxylate;tris(4,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-carboxylate)
- English name
- tetrakis(3,17-diacetoxyestra-1,3,5(10)-trien-2-carboxylato)dicopper(II)
- Molecular formula
- C92H108Cu2O24
- Molecular weight
- 1724.91952
Names & synonyms
4-Detca-Cu137268-70-3Tetrakis(3,17-diacetoxyestra-1,3,5(10)-trien-2-carboxylato)dicopper(II)RefChem:188732Tetrakis(3,17beta-diacetoxyestra-1,3,5(10)-trien-2-carboxylato)dicopper(II)(Cu-Cu)Tetrakis(mu-((17beta)-3,17-bis(acetyloxy)estra-1,3,5(10)-triene-2-carboxylato-O2:O2'))dicopperCopper, tetrakis(mu-((17beta)-3,17-bis(acetyloxy)estra-1,3,5(10)-triene-2-carboxylato-O2:O2'))di-, (Cu-Cu)
Database identifiers
- CAS
137268-70-3- PubChem CID
- 3083262
Properties
Computed structural properties
- Topological polar surface area
- 371 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 16
- Heavy atoms
- 118
- Formal charge
- 0
- Complexity
- 1,370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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