 Home > Encyclopedia > N-[(1S,2R,3E)-1-[[(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanamide

N-[(1S,2R,3E)-1-[[(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanamide

N-[(1S,2R,3E)-1-[[(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanamide structure

CAS No:
474943-06-1
Formula:
C48H81N5O16
Chemical Name:
N-[(1S,2R,3E)-1-[[(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanamide
Synonyms:
Dodecanamide,N-[(1S,2R,3E)-1-[[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-;Dodecanamide,N-[(1S,2R,3E)-1-[[(4-O-β-D-galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecenyl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-;N-[(1S,2R,3E)-1-[[(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanamide

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N-[(1S,2R,3E)-1-[[(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanamide Basic Attributes

Molecular Weight：

969.17

Exact Mass：

984.18

Characteristics

PSA：

325

XLogP3：

6.8

Computed Properties

Molecular Weight:984.2
XLogP3:6.8
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:35
Exact Mass:983.56783151
Monoisotopic Mass:983.56783151
Topological Polar Surface Area:325
Heavy Atom Count:69
Complexity:1420
Defined Atom Stereocenter Count:12
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 474943-06-1

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Guide of N-[(1S,2R,3E)-1-[[(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-12-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]dodecanamide

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Characteristics
Computed Properties
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