ChemSpider 2D Image | 4'-Cinnamoylmussatioside | C34H44O16

4'-Cinnamoylmussatioside

  • Molecular FormulaC34H44O16
  • Average mass708.704 Da
  • Monoisotopic mass708.262939 Da
  • ChemSpider ID10128242

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(4-Hydroxyphenyl)ethyl β-D-xylopyranosyl-(1->3)-6-deoxy-4-O-[(2E)-3-phenyl-2-propenoyl]-α-L-mannopyranosyl-(1->6)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(4-Hydroxyphenyl)ethyl-β-D-xylopyranosyl-(1->3)-6-desoxy-4-O-[(2E)-3-phenyl-2-propenoyl]-α-L-mannopyranosyl-(1->6)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4'-Cinnamoylmussatioside
β-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl O-β-D-xylopyranosyl-(1->3)-O-6-deoxy-4-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-α-L-mannopyranosyl-(1->6)- [ACD/Index Name]
β-D-Xylopyranosyl-(1->3)-6-désoxy-4-O-[(2E)-3-phényl-2-propenoyl]-α-L-mannopyranosyl-(1->6)-β-D-glucopyranoside de 2-(4-hydroxyphényl)éthyle [French] [ACD/IUPAC Name]
(2S,3S,4R,5R,6R)-5-HYDROXY-02-METHYL-6-[[(2R,3R,4S,5R,6R)-3,4,5-TRIHYD ROXY-6-[2-(4-HYDROXYPHENYL)ETHOXY]OXAN-02-YL]METHOXY]-4-[(2S,3R,4S,5R)- 3,4,5-TRIHYDROXYOXAN-02-YL]OXY-OXAN-3-YL] 3-PHENYLPROP-02-ENOATE
[(2S,3S,4R,5R,6R)-5-hydroxy-2-methyl-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihyd roxy-6-[2-(4-hydroxyphenyl)et
110219-94-8 [RN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C10439 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 930.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.9±3.0 kJ/mol
Flash Point: 291.0±27.8 °C
Index of Refraction: 1.653
Molar Refractivity: 171.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 46.46
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 46.34
Polar Surface Area: 244 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 82.5±5.0 dyne/cm
Molar Volume: 468.3±5.0 cm3

Click to predict properties on the Chemicalize site


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