ChemSpider 2D Image | (3beta,4beta,5xi,9xi,14xi,15alpha,16beta)-4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl (2Z)-2-methyl-2-butenoate | C32H49NO8

(3β,4β,5ξ,9ξ,14ξ,15α,16β)-4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC32H49NO8
  • Average mass575.733 Da
  • Monoisotopic mass575.345825 Da
  • ChemSpider ID4945330

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 15 defined stereocentres

More details:

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

(2Z)-2-Méthyl-2-buténoate de (3β,4β,5ξ,9ξ,14ξ,15α,16β)-4,14,15,16,20-pentahydroxy-4,9-époxycévan-3-yle [French] [ACD/IUPAC Name]
(3β,4β,5ξ,9ξ,14ξ,15α,16β)-4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
(3β,4β,5ξ,9ξ,14ξ,15α,16β)-4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3β,4β,5ξ,9ξ,14ξ,15α,16β)-4,9-epoxy-4,14,15,16,20-pentahydroxycevan-3-yl ester, (2Z)- [ACD/Index Name]
67370-02-9 [RN]
Angeloylzygadenine
Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, 3-(2-methyl-2-butenoate), (3β(Z),4α,15α,16β)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.0±6.0 kJ/mol
Flash Point: 372.4±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.97
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 2.91
ACD/KOC (pH 7.4): 34.05
Polar Surface Area: 140 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 422.5±5.0 cm3

Click to predict properties on the Chemicalize site


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