ChemSpider 2D Image | CKD-731 | C28H38O8

CKD-731

  • Molecular FormulaC28H38O8
  • Average mass502.596 Da
  • Monoisotopic mass502.256653 Da
  • ChemSpider ID8111451

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E)-3-(3,4,5-Triméthoxyphényl)acrylate de (3R,4S,5S,6R)-5-méthoxy-4-[(2R,3R)-2-méthyl-3-(3-méthyl-2-butén-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yle [French] [ACD/IUPAC Name]
(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl (2E)-3-(3,4,5-trimethoxyphenyl)acrylate [ACD/IUPAC Name]
(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl-(2E)-3-(3,4,5-trimethoxyphenyl)acrylat [German] [ACD/IUPAC Name]
(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-yl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
251111-15-6 [RN]
2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester, (2E)- [ACD/Index Name]
540N75454L
CKD-731
(E)-3-(3,4,5-Trimethoxy-phenyl)-acrylic acid (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-but-2-enyl)-oxiranyl]-1-oxa-spiro[2.5]oct-6-yl ester
(E)-3-(3,4,5-trimethoxyphenyl)acrylic acid [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 602.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 254.2±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 460.21
ACD/KOC (pH 5.5): 2803.79
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 460.21
ACD/KOC (pH 7.4): 2803.79
Polar Surface Area: 88 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 419.7±5.0 cm3

Click to predict properties on the Chemicalize site


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