ChemSpider 2D Image | [(2R,3S,4R,5R,6S)-6-{3-Acetyl-2,4,6-trihydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]phenyl}-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]methyl (2E)-3-phenylacryl ate (non-preferred name) | C29H34O15

[(2R,3S,4R,5R,6S)-6-{3-Acetyl-2,4,6-trihydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]phenyl}-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]methyl (2E)-3-phenylacryl ate (non-preferred name)

  • Molecular FormulaC29H34O15
  • Average mass622.571 Da
  • Monoisotopic mass622.189758 Da
  • ChemSpider ID95502685

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de [(2R,3S,4R,5R,6S)-6-{3-acétyl-2,4,6-trihydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]phényl}-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl] méthyle (non-preferred name) [French] [ACD/IUPAC Name]
[(2R,3S,4R,5R,6S)-6-{3-Acetyl-2,4,6-trihydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]phenyl}-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]methyl (2E)-3-phenylacryl ate (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R,6S)-6-{3-Acetyl-2,4,6-trihydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]phenyl}-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]methyl-(2E)-3-phenylacryl at (non-preferred name) [German] [ACD/IUPAC Name]
[(2R,3S,4R,5R,6S)-6-[3-acetyl-2,4,6-trihydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
1900703-81-2 [RN]
Leptabiside C

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

Density: 1.6±0.1 g/cm3
Boiling Point: 784.2±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: 252.2±26.4 °C
Index of Refraction: 1.701
Molar Refractivity: 150.0±0.3 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.04
ACD/KOC (pH 5.5): 93.97
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 37.68
Polar Surface Area: 264 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 82.4±3.0 dyne/cm
Molar Volume: 387.7±3.0 cm3

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