ChemSpider 2D Image | (3beta,4alpha,15alpha,16beta)-4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl acetate | C29H45NO8

(3β,4α,15α,16β)-4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl acetate

  • Molecular FormulaC29H45NO8
  • Average mass535.669 Da
  • Monoisotopic mass535.314514 Da
  • ChemSpider ID10181195

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3β,4α,15α,16β)-4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl acetate [ACD/IUPAC Name]
(3β,4α,15α,16β)-4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl-acetat [German] [ACD/IUPAC Name]
2777-79-9 [RN]
Acétate de (3β,4α,15α,16β)-4,14,15,16,20-pentahydroxy-4,9-époxycévan-3-yle [French] [ACD/IUPAC Name]
Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, 3-acetate, (3β,4α,15α,16β)- [ACD/Index Name]
zygacine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 655.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±6.0 kJ/mol
Flash Point: 350.5±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.23
Polar Surface Area: 140 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 381.2±5.0 cm3

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