ChemSpider 2D Image | (5xi,7alpha,8xi,9xi,10xi,12xi,13xi,15alpha,17xi,22xi,25xi)-4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate | C31H47NO10

(5ξ,7α,8ξ,9ξ,10ξ,12ξ,13ξ,15α,17ξ,22ξ,25ξ)-4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate

  • Molecular FormulaC31H47NO10
  • Average mass593.706 Da
  • Monoisotopic mass593.320007 Da
  • ChemSpider ID29985

  • defined stereocentres - 4 of 16 defined stereocentres

More details:

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

(5ξ,7α,8ξ,9ξ,10ξ,12ξ,13ξ,15α,17ξ,22ξ,25ξ)-4,7,14,15,20-Pentahydroxy-4,9-epoxycevan-3,16-diyl-diacetat [German] [ACD/IUPAC Name]
(5ξ,7α,8ξ,9ξ,10ξ,12ξ,13ξ,15α,17ξ,22ξ,25ξ)-4,7,14,15,20-Pentahydroxy-4,9-epoxycevane-3,16-diyl diacetate [ACD/IUPAC Name]
Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 3,16-diacetate, (5ξ,7α,8ξ,9ξ,10ξ,12ξ,13ξ,15α,17ξ,22ξ,25ξ)- [ACD/Index Name]
Diacétate de (5ξ,7α,8ξ,9ξ,10ξ,12ξ,13ξ,15α,17ξ,22ξ,25ξ)-4,7,14,15,20-pentahydroxy-4,9-époxycévane-3,16-diyle [French] [ACD/IUPAC Name]
24381-53-1 [RN]
24696-21-7 [RN]
Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 3,16-diacetate, (3β,4α,7α,15α,16β)-
Germine-3,16-diacetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 696.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.6±6.0 kJ/mol
Flash Point: 374.9±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.98
Polar Surface Area: 166 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 416.6±5.0 cm3

Click to predict properties on the Chemicalize site


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