ChemSpider 2D Image | (3R,3aR,4S,5R,6R,10R,11R,11aS)-4,10-Dihydroxy-3-(methoxymethyl)-6,10-dimethyl-2,9-dioxododecahydrocyclodeca[b]furan-5,11-diyl (2Z,2'Z)bis(2-methyl-2-butenoate) | C26H38O10

(3R,3aR,4S,5R,6R,10R,11R,11aS)-4,10-Dihydroxy-3-(methoxymethyl)-6,10-dimethyl-2,9-dioxododecahydrocyclodeca[b]furan-5,11-diyl (2Z,2'Z)bis(2-methyl-2-butenoate)

  • Molecular FormulaC26H38O10
  • Average mass510.574 Da
  • Monoisotopic mass510.246490 Da
  • ChemSpider ID76794854

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2Z,2'Z)Bis(2-méthyl-2-buténoate) de (3R,3aR,4S,5R,6R,10R,11R,11aS)-4,10-dihydroxy-3-(méthoxyméthyl)-6,10-diméthyl-2,9-dioxododécahydrocyclodéca[b]furane-5,11-diyle [French] [ACD/IUPAC Name]
(3R,3aR,4S,5R,6R,10R,11R,11aS)-4,10-Dihydroxy-3-(methoxymethyl)-6,10-dimethyl-2,9-dioxododecahydrocyclodeca[b]furan-5,11-diyl (2Z,2'Z)bis(2-methyl-2-butenoate) [ACD/IUPAC Name]
(3R,3aR,4S,5R,6R,10R,11R,11aS)-4,10-Dihydroxy-3-(methoxymethyl)-6,10-dimethyl-2,9-dioxododecahydrocyclodeca[b]furan-5,11-diyl-(2Z,2'Z)bis(2-methyl-2-butenoat) [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3R,3aR,4S,5R,6R,10R,11R,11aS)-dodecahydro-4,10-dihydroxy-3-(methoxymethyl)-6,10-dimethyl-2,9-dioxocyclodeca[b]furan-5,11-diyl ester, (2Z,2'Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 648.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±6.0 kJ/mol
Flash Point: 208.6±25.0 °C
Index of Refraction: 1.531
Molar Refractivity: 128.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.69
ACD/KOC (pH 5.5): 578.11
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.69
ACD/KOC (pH 7.4): 578.06
Polar Surface Area: 146 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 414.1±5.0 cm3

Click to predict properties on the Chemicalize site


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