Found 40 results

Search term: MF = 'C_{24}H_{28}O_{12}'
ChemSpider 2D Image | [(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl (2E)-3-(4-hydroxyphenyl)acrylate | C24H28O12

[(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl (2E)-3-(4-hydroxyphenyl)acrylate

  • Molecular FormulaC24H28O12
  • Average mass508.472 Da
  • Monoisotopic mass508.158081 Da
  • ChemSpider ID4947076

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxyphényl)acrylate de [(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tétrahydrooxiréno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]méthyle [French] [ACD/IUPAC Name]
[(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl (2E)-3-(4-hydroxyphenyl)acrylate [ACD/IUPAC Name]
[(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl-(2E)-3-(4-hydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydro-6-hydroxyoxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl ester, (2E)- [ACD/Index Name]
10-0-(E)-p-Coumaroylcatalpol
58286-53-6 [RN]
SCUTELLARIOSIDE II

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

Density: 1.6±0.1 g/cm3
Boiling Point: 818.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 280.4±27.8 °C
Index of Refraction: 1.691
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.45
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.42
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.41
Polar Surface Area: 188 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 91.1±5.0 dyne/cm
Molar Volume: 312.4±5.0 cm3

Click to predict properties on the Chemicalize site


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