ChemSpider 2D Image | (2E)-N-[(5S,5aS,8aR,9R)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide | C34H35NO11

(2E)-N-[(5S,5aS,8aR,9R)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide

  • Molecular FormulaC34H35NO11
  • Average mass633.642 Da
  • Monoisotopic mass633.221008 Da
  • ChemSpider ID28429830

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E)-N-[(5S,5aS,8aR,9R)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]-3-(3,4,5-trimethoxyphenyl)acrylamid [German] [ACD/IUPAC Name]
(2E)-N-[(5S,5aS,8aR,9R)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide [ACD/IUPAC Name]
(2E)-N-[(5S,5aS,8aR,9R)-8-Oxo-9-(3,4,5-triméthoxyphényl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-5-yl]-3-(3,4,5-triméthoxyphényl)acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[(5S,5aS,8aR,9R)-5,5a,6,8,8a,9-hexahydro-8-oxo-9-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-5-yl]-3-(3,4,5-trimethoxyphenyl)-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 822.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 451.4±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 163.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.29
ACD/KOC (pH 5.5): 1001.87
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 109.28
ACD/KOC (pH 7.4): 1001.86
Polar Surface Area: 129 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 458.9±5.0 cm3

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