Structure Database (LMSD)

Common Name
Estradiol dipropionate
Systematic Name
3,17-dipropionyl-estra-1,3,5(10)-triene-3,17β-diol
Synonyms
LM ID
LMST02010040
Status
Active
Exact Mass
Calculate m/z
384.23006
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
JQIYNMYZKRGDFK-RUFWAXPRSA-N
InChi (Click to copy)
InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3/t18-,19-,20+,21+,24+/m1/s1
SMILES (Click to copy)
[C@]12(CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1(C3C=CC(OC(=O)CC)=CC=3CC[C@@]21[H])[H])[H]

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 1
Rotatable Bonds 6
Van der Waals Molecular Volume 385.38
Topological Polar Surface Area 52.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 5.47
Molar Refractivity 107.67

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Created at
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Updated at
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