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Soyacerebroside I

Soyacerebroside I structure

CAS No:
114297-20-0
Formula:
C40H75NO9
Chemical Name:
Soyacerebroside I
Synonyms:
Hexadecanamide,N-[(1S,2R,3E,7E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadien-1-yl]-2-hydroxy-,(2R)-;Hexadecanamide,N-[1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadienyl]-2-hydroxy-,[1S-[1R*(S*),2S*,3E,7E]]-;Hexadecanamide,N-[(1S,2R,3E,7E)-1-[(β-D-glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadienyl]-2-hydroxy-,(2R)-;(2R)-N-[(1S,2R,3E,7E)-1-[(β-D-Glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadien-1-yl]-2-hydroxyhexadecanamide;Soyacerebroside I;(2S,3R,4E,8E)-1-O-β-D-Glucopyranosyl-3-hydroxy-2-(2′R-hydroxypalmitoylamino)-4,8-octadecadiene;(2R)-N-[(1S,2R,3E,7E)-1-[(β-D-Glucopyranosyloxy)methyl]-2-hydroxyheptadeca-3,7-dien-1-yl]-2-hydroxyhexadecanamide;1-O-β-D-Glucopyranosyl-(2S,3R,4E,8E)-2-[(2′R)-2-hydroxyhexadecanoylamino]-4,8-octadecadiene-1,3-diol

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Soyacerebroside I Basic Attributes

Molecular Weight：

714.02500

Exact Mass：

714.02

Characteristics

PSA：

168.94000

XLogP3：

6.52490

Density：

1.09g/cm3

Melting Point：

192-197 °C

Boiling Point：

870.1ºC at 760mmHg

Flash Point：

480ºC

Refractive Index：

1.529

Vapor Pressure：

2.41E-35mmHg at 25°C

Drug Information

MeSH Entry Terms：

1-O-glucopyranosyl-2-N-(2'-hydroxypalmitoyl)octadecasphinga-4,8-dienine

Computed Properties

Molecular Weight:714.0
XLogP3:9.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:32
Exact Mass:713.54418297
Monoisotopic Mass:713.54418297
Topological Polar Surface Area:169
Heavy Atom Count:50
Complexity:857
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Soyacerebroside I

Basic Attributes
Characteristics
Drug Information
Computed Properties
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