 Home > Encyclopedia > 5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol

5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol

5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol structure

CAS No:
142628-29-3
Formula:
C20H31NO12
Chemical Name:
5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
Synonyms:
Julibrine II;
Categories:
Biochemical Engineering > Saccharides

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5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol Basic Attributes

Molecular Weight：

477.46000

Exact Mass：

477.18462542 g/mol

Characteristics

PSA：

200.65000

XLogP3：

-2.97660

Density：

1.56g/cm3

Boiling Point：

803ºC at 760 mmHg

Flash Point：

439.4ºC

Refractive Index：

1.633

Vapor Pressure：

3.23E-27mmHg at 25°C

Drug Information

MeSH Entry Terms：

3-hydroxy-5-hydroxymethyl-4-methoxy-methyl-2-methylpyridine 5'-O-beta-apiofuranosyl(1-2)beta-glucopyranoside

Computed Properties

Molecular Weight:477.5
XLogP3:-3.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:477.18462542
Monoisotopic Mass:477.18462542
Topological Polar Surface Area:201
Heavy Atom Count:33
Complexity:616
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Sucrose Structure

57-50-1
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Guide of 5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties
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