Structure Database (LMSD)
Common Name
Pramanicin
Systematic Name
Synonyms
3D model of Pramanicin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BOWRHOKHYKPEAR-YRMVZDNFSA-N
InChi (Click to copy)
InChI=1S/C19H31NO6/c1-2-3-4-5-6-7-8-9-14-15(26-14)10-11-16(22)19(25)17(23)13(12-21)20-18(19)24/h10-11,13-15,17,21,23,25H,2-9,12H2,1H3,(H,20,24)/b11-10+/t13-,14+,15+,17-,19+/m0/s1
SMILES (Click to copy)
[C@@]1(O)(C(=O)/C=C/[C@H]2O[C@@H]2CCCCCCCCC)[C@@H](O)[C@H](CO)NC1=O
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
2
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
368.36
Topological Polar Surface Area
119.39
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
2.32
Molar Refractivity
98.44
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Created at
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Updated at
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