Structure Database (LMSD)
Common Name
PGF2alpha-dihydroxypropanylamine
Systematic Name
N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy-5Z,13E-prostadienoyl amine
Synonyms
- Prostaglandin F2alpha-dihydroxypropanylamine
3D model of PGF2alpha-dihydroxypropanylamine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
IRAOUIWKWHBHDC-GKUWGJHRSA-N
InChi (Click to copy)
InChI=1S/C23H41NO6/c1-2-3-6-9-18(27)12-13-20-19(21(28)14-22(20)29)10-7-4-5-8-11-23(30)24-17(15-25)16-26/h4,7,12-13,17-22,25-29H,2-3,5-6,8-11,14-16H2,1H3,(H,24,30)/b7-4-,13-12+/t18-,19+,20+,21-,22+/m0/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NC(CO)CO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
1
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
449.92
Topological Polar Surface Area
130.25
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
6
logP
3.14
Molar Refractivity
119.64
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Updated at
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