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Search term: 35014565 (Found by CSID)
ChemSpider 2D Image | 6-O-[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-1-S-[(1E,4E)-5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidoyl]-1-thiohexopyranose | C23H31NO14S3

6-O-[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-1-S-[(1E,4E)-5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidoyl]-1-thiohexopyranose

  • Molecular FormulaC23H31NO14S3
  • Average mass641.685 Da
  • Monoisotopic mass641.090637 Da
  • ChemSpider ID35014565

  • Double-bond stereo - Double-bond stereo

More details:

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

6-O-[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-1-S-[(1E,4E)-5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidoyl]-1-thiohexopyranose [German] [ACD/IUPAC Name]
6-O-[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoyl]-1-S-[(1E,4E)-5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidoyl]-1-thiohexopyranose [ACD/IUPAC Name]
6-O-[(2E)-3-(4-Hydroxy-3,5-diméthoxyphényl)-2-propenoyl]-1-S-[(1E,4E)-5-(méthylsulfinyl)-N-(sulfooxy)-4-pentenimidoyl]-1-thiohexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-1-S-[(1E,4E)-5-(methylsulfinyl)-1-[(sulfooxy)imino]-4-penten-1-yl]-1-thio- [ACD/Index Name]
[(E)-[(4E)-5-methanesulfinyl-1-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene]amino]oxysulfonic acid
6-Sinapoylglucoraphenin

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 281 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 407.2±7.0 cm3

Click to predict properties on the Chemicalize site


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