 Home > Encyclopedia > 1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(4,5,6-trihydroxy-3-methyloxan-2-yl)oxycyclopent-2-ene-1-carbonitrile

1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(4,5,6-trihydroxy-3-methyloxan-2-yl)oxycyclopent-2-ene-1-carbonitrile

1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(4,5,6-trihydroxy-3-methyloxan-2-yl)oxycyclopent-2-ene-1-carbonitrile structure

CAS No:
97564-61-9
Formula:
C18H27NO11
Chemical Name:
1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(4,5,6-trihydroxy-3-methyloxan-2-yl)oxycyclopent-2-ene-1-carbonitrile

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1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(4,5,6-trihydroxy-3-methyloxan-2-yl)oxycyclopent-2-ene-1-carbonitrile Basic Attributes

Molecular Weight：

433.40700

Exact Mass：

433.15841068

Characteristics

PSA：

202.32000

XLogP3：

-3.55702

Density：

1.61g/cm3

Boiling Point：

735.3ºC

Flash Point：

398.5ºC

Refractive Index：

1.638

Drug Information

MeSH Entry Terms：

1-(glucopyranosyloxy)-4-(6-deoxy-gulopyranosyloxy)-2-cyclopentene-1-carbonitrile

Computed Properties

Molecular Weight:433.4
XLogP3:-3.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:433.15841068
Monoisotopic Mass:433.15841068
Topological Polar Surface Area:202
Heavy Atom Count:30
Complexity:682
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(4,5,6-trihydroxy-3-methyloxan-2-yl)oxycyclopent-2-ene-1-carbonitrile

Basic Attributes
Characteristics
Drug Information
Computed Properties

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