Found 1 result

Search term: BRMXVUVCULYUAM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S)-1,5-Anhydro-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-allitol | C29H30O12

(1S)-1,5-Anhydro-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-allitol

  • Molecular FormulaC29H30O12
  • Average mass570.541 Da
  • Monoisotopic mass570.173706 Da
  • ChemSpider ID4475251

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-allitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-allitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-1-[7-hydroxy-5-méthyl-4-oxo-2-(2-oxopropyl)-4H-chromén-8-yl]-D-allitol [French] [ACD/IUPAC Name]
D-Allitol, 1,5-anhydro-2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-1-C-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
2''-O-p-Coumaroylaloesin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 784.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 256.9±26.4 °C
Index of Refraction: 1.669
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 5.84
ACD/KOC (pH 5.5): 119.60
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.79
Polar Surface Area: 189 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 81.7±5.0 dyne/cm
Molar Volume: 376.6±5.0 cm3

Click to predict properties on the Chemicalize site


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