ChemSpider 2D Image | Salviaflaside | C24H26O13

Salviaflaside

  • Molecular FormulaC24H26O13
  • Average mass522.455 Da
  • Monoisotopic mass522.137329 Da
  • ChemSpider ID4943359

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-2-propenoyl}oxy)propanoic acid [ACD/IUPAC Name]
(2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-2-propenoyl}oxy)propansäure [German] [ACD/IUPAC Name]
178895-25-5 [RN]
Acide (2R)-3-(3,4-dihydroxyphényl)-2-({(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphényl]-2-propenoyl}oxy)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, (αR)- [ACD/Index Name]
Salviaflaside
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxypropanoic acid
(R-(E))-α-((3-(3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxybenzenepropanoic acid
Benzenepropanoic acid, α-((3-(3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (R-(E))-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 873.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.0±3.0 kJ/mol
Flash Point: 296.6±27.8 °C
Index of Refraction: 1.707
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 224 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 86.6±3.0 dyne/cm
Molar Volume: 321.5±3.0 cm3

Click to predict properties on the Chemicalize site


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