 Home > Encyclopedia > (2S)-4-[(13R)-13-[(5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

(2S)-4-[(13R)-13-[(5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

(2S)-4-[(13R)-13-[(5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one structure

CAS No:
156199-51-8
Formula:
C37H66O7
Chemical Name:
(2S)-4-[(13R)-13-[(5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
Synonyms:
asiminacin;Asiminacin;156199-51-8;(2R-(2alpha(2R*,5'R*,(1R*,5S*)),5beta(R*(S*))))-3-(13-(5'-(1,5-Dihydroxyundecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-2(5H)-furanone;(2S)-4-[(13R)-13-[(5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one;3-(13-(5'-(1,5-Dihydroxyundecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-2(5H)-furanone (2R-(2alpha(2R*,5'R*,(1R*,5S*)),5beta(R*(S*))))-;2(5H)-Furanone, 3-(13-(5'-(1,5-dihydroxyundecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-, (2R-(2alpha(2R*,5'R*,(1R*,5S*)),5beta(R*(S*))))-

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(2S)-4-[(13R)-13-[(5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one Basic Attributes

Molecular Weight：

622.9 g/mol

Exact Mass：

622.48085444 g/mol

Characteristics

PSA：

105 Å²

Drug Information

MeSH Entry Terms：

asiminacin

Computed Properties

Molecular Weight:622.9
XLogP3:9.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:25
Exact Mass:622.48085444
Monoisotopic Mass:622.48085444
Topological Polar Surface Area:105
Heavy Atom Count:44
Complexity:801
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S)-4-[(13R)-13-[(5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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