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3′,6-Disinapoylsucrose

3′,6-Disinapoylsucrose structure

CAS No:
139891-98-8
Formula:
C34H42O19
Chemical Name:
3′,6-Disinapoylsucrose
Synonyms:
α-D-Glucopyranoside,3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-fructofuranosyl,6-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate];α-D-Glucopyranoside,3-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-fructofuranosyl,6-[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate],[1(E),6(E)]-;α-D-Glucopyranoside,3-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-fructofuranosyl,6-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate];β-D-(3-O-Sinapoyl)-fructofuranosyl-(2→1)-α-D-[6-O-sinapoyl]-glucopyranoside;3′,6-Disinapoylsucrose;3,6′-Disinapoylsucrose ester;(3-O-Sinapoyl)-β-D-fructofuranosyl-(2→1)-(6-O-sinapoyl)-α-D-glucopyranoside;383876-21-9;1040088-11-6;1453166-38-5;1649433-23-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3′,6-Disinapoylsucrose Basic Attributes

Molecular Weight：

754.69

Exact Mass：

754.69

UNII：

XNG7ST1C16

Characteristics

Density：

1.56±0.1 g/cm3

Melting Point：

129-130 °C

Boiling Point：

988.0±65.0 °C(Predicted)

PKA：

9.75±0.36

Drug Information

MeSH Entry Terms：

(3-sinapoyl)fructofuranosyl-(6-sinapoyl)glucopyranoside

Computed Properties

Molecular Weight:754.7
XLogP3:-0.5
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:17
Exact Mass:754.23202911
Monoisotopic Mass:754.23202911
Topological Polar Surface Area:279
Heavy Atom Count:53
Complexity:1210
Defined Atom Stereocenter Count:9
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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