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-(4-hydroxyp henyl)acrylate (non-preferred name) | C29H34O16

[(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-(4-hydroxyp henyl)acrylate (non-preferred name)

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID95502686

  • 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-(4-Hydroxyphényl)acrylate 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-(4-hydroxyp henyl)acrylate (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-(4-hydroxyp henyl)acrylat (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-(4-hydroxyphenyl)prop-2-enoate
1900703-79-8 [RN]
Leptabiside A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 816.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 262.4±27.8 °C
Index of Refraction: 1.716
Molar Refractivity: 151.9±0.3 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.71
ACD/KOC (pH 5.5): 70.58
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 28.24
Polar Surface Area: 284 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 88.1±3.0 dyne/cm
Molar Volume: 386.1±3.0 cm3

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