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
Main
Classification
Category
Main Class
Sub Class
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
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
Admin
Created at
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Updated at
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