ChemSpider 2D Image | (2Z)-2-[(4S,5R)-4-Hydroxy-5-(2-methyl-1-propen-1-yl)-2-oxodihydro-3(2H)-furanylidene]ethyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C25H30O11

(2Z)-2-[(4S,5R)-4-Hydroxy-5-(2-methyl-1-propen-1-yl)-2-oxodihydro-3(2H)-furanylidene]ethyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC25H30O11
  • Average mass506.499 Da
  • Monoisotopic mass506.178802 Da
  • ChemSpider ID24667883

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2Z)-2-[(4S,5R)-4-Hydroxy-5-(2-methyl-1-propen-1-yl)-2-oxodihydro-3(2H)-furanyliden]ethyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2Z)-2-[(4S,5R)-4-Hydroxy-5-(2-methyl-1-propen-1-yl)-2-oxodihydro-3(2H)-furanylidene]ethyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-4-hydroxy-3-[2-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]ethylidene]-5-(2-methyl-1-propen-1-yl)-, (3Z,4S,5R)- [ACD/Index Name]
6-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de (2Z)-2-[(4S,5R)-4-hydroxy-5-(2-méthyl-1-propén-1-yl)-2-oxodihydro-3(2H)-furanylidène]éthyle [French] [ACD/IUPAC Name]
kodemarioside A
KODEMARIOSIDES A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 789.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 265.9±26.4 °C
Index of Refraction: 1.630
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.84
ACD/KOC (pH 5.5): 137.87
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.81
ACD/KOC (pH 7.4): 137.15
Polar Surface Area: 172 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 350.5±5.0 cm3

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