ChemSpider 2D Image | (2Z,2'Z)-4,4'-[(3beta,4alpha,5xi,7alpha,9xi,14xi,15alpha,16beta)-3,4,7,15,16-Pentahydroxy-4,9-epoxycevane-3,15-diyl]bis(2-methyl-2-butenoic acid) | C37H55NO10

(2Z,2'Z)-4,4'-[(3β,4α,5ξ,7α,9ξ,14ξ,15α,16β)-3,4,7,15,16-Pentahydroxy-4,9-epoxycevane-3,15-diyl]bis(2-methyl-2-butenoic acid)

  • Molecular FormulaC37H55NO10
  • Average mass673.833 Da
  • Monoisotopic mass673.382568 Da
  • ChemSpider ID4945367

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 16 defined stereocentres

More details:

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

(2Z,2'Z)-4,4'-[(3β,4α,5ξ,7α,9ξ,14ξ,15α,16β)-3,4,7,15,16-Pentahydroxy-4,9-epoxycevan-3,15-diyl]bis(2-methyl-2-butensäure) [German] [ACD/IUPAC Name]
(2Z,2'Z)-4,4'-[(3β,4α,5ξ,7α,9ξ,14ξ,15α,16β)-3,4,7,15,16-Pentahydroxy-4,9-epoxycevane-3,15-diyl]bis(2-methyl-2-butenoic acid) [ACD/IUPAC Name]
2-Butenoic acid, 4,4'-[(3β,4α,5ξ,7α,9ξ,14ξ,15α,16β)-4,9-epoxy-3,4,7,15,16-pentahydroxycevane-3,15-diyl]bis[2-methyl-, (2Z,2'Z)- [ACD/Index Name]
Acide (2Z,2'Z)-4,4'-[(3β,4α,5ξ,7α,9ξ,14ξ,15α,16β)-3,4,7,15,16-pentahydroxy-4,9-époxycévane-3,15-diyl]bis(2-méthyl-2-buténoïque) [French] [ACD/IUPAC Name]
90541-57-4 [RN]
91450-13-4 [RN]
Stenophylline A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 837.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.5±6.0 kJ/mol
Flash Point: 460.4±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 174.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.88
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 481.6±5.0 cm3

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