 Home > Encyclopedia > N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide

N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide

N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide structure

CAS No:
129461-18-3
Formula:
C24H32F3N3O13
Chemical Name:
N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
Synonyms:
2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine;2-N-4-(1-azi-2,2,2-trifluoroethyl)benzoyl-1,3-bis(D-mannos-4-yloxy)-2-propylamine;ATB-BMPA;N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide;MFCD00269921;ZINC160480152;2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine;2-N-4-(1-Azi-2,2,2-trifluoroethyl)benzoyl-1,3-bis(D-mannos-4-yloxy)-2-propylamine

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N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide Basic Attributes

Molecular Weight：

627.5 g/mol

Exact Mass：

627.18872257 g/mol

Characteristics

PSA：

268 Å²

Drug Information

MeSH：

Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids. (See all compounds classified as Affinity Labels.)

MeSH Entry Terms：

2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine

Computed Properties

Molecular Weight:627.5
XLogP3:-4
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:19
Exact Mass:627.18872257
Monoisotopic Mass:627.18872257
Topological Polar Surface Area:268
Heavy Atom Count:43
Complexity:894
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methyl benzoate; benzoic acid sds; methanol formula; sodium chloride sds; isobutene; water msds

Guide of N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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