ChemSpider 2D Image | Bis[(3aR,4S,4aR,7aR,8R,9aR)-4a,8-dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl] glutarate | C35H40O10

Bis[(3aR,4S,4aR,7aR,8R,9aR)-4a,8-dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl] glutarate

  • Molecular FormulaC35H40O10
  • Average mass620.686 Da
  • Monoisotopic mass620.262146 Da
  • ChemSpider ID298529
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

Bis[(3aR,4S,4aR,7aR,8R,9aR)-4a,8-dimethyl-3-methylen-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl]glutarat [German] [ACD/IUPAC Name]
Bis[(3aR,4S,4aR,7aR,8R,9aR)-4a,8-dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl] glutarate [ACD/IUPAC Name]
Glutarate de bis[(3aR,4S,4aR,7aR,8R,9aR)-4a,8-diméthyl-3-méthylène-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-décahydroazuléno[6,5-b]furan-4-yle] [French] [ACD/IUPAC Name]
Pentanedioic acid, bis[(3aR,4S,4aR,7aR,8R,9aR)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno[6,5-b]furan-4-yl] ester [ACD/Index Name]
77928-51-9 [RN]
Bis(4a,8-dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno(6,5-b)furan-4-yl) pentanedioate
Bis(4a,8-dimethyl-3-methylene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl) pentanedioate
Bis(helenalinyl)glutarate
bis-Helenalinyl-glutarate
Pentanedioic acid, bis(2,3,3a,4,4a,5,7a,8,9,9a-decahydro-4a,8-dimethyl-3-methylene-2,5-dioxoazuleno(6,5-b)furan-4-yl) ester, (3aR-(3aα,4α3aR*,4S*,4aR*,7aR*,8R*,9aR*),4aβ,7aα,8α,9aα))-

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

AIDS129521 [DBID]
AIDS-129521 [DBID]
NCI60_003153 [DBID]
NSC 352330 [DBID]
NSC352330 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 782.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 321.9±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 158.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.88
ACD/KOC (pH 5.5): 424.08
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.88
ACD/KOC (pH 7.4): 424.08
Polar Surface Area: 139 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 475.3±5.0 cm3

Click to predict properties on the Chemicalize site






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