ChemSpider 2D Image | (5xi,7alpha,8xi,9xi,10xi,12xi,13xi,15alpha,17xi,22xi,25xi)-4,9-Epoxycevane-3,4,7,14,15,16,20-heptol | C27H43NO8

(5ξ,7α,8ξ,9ξ,10ξ,12ξ,13ξ,15α,17ξ,22ξ,25ξ)-4,9-Epoxycevane-3,4,7,14,15,16,20-heptol

  • Molecular FormulaC27H43NO8
  • Average mass509.632 Da
  • Monoisotopic mass509.298859 Da
  • ChemSpider ID10067

  • 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)-4,9-Epoxycevan-3,4,7,14,15,16,20-heptol [German] [ACD/IUPAC Name]
(5ξ,7α,8ξ,9ξ,10ξ,12ξ,13ξ,15α,17ξ,22ξ,25ξ)-4,9-Epoxycevane-3,4,7,14,15,16,20-heptol [ACD/IUPAC Name]
(5ξ,7α,8ξ,9ξ,10ξ,12ξ,13ξ,15α,17ξ,22ξ,25ξ)-4,9-Époxycévane-3,4,7,14,15,16,20-heptol [French] [ACD/IUPAC Name]
Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, (5ξ,7α,8ξ,9ξ,10ξ,12ξ,13ξ,15α,17ξ,22ξ,25ξ)- [ACD/Index Name]
5-21-13-00706 [Beilstein]
5750-58-3 [RN]
Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, (3-β,4-α,7-α,5-α,16-β)-
Cevane-3-β,4-β,7-α,14,15-α,16-β,20-heptol, 4,9-epoxy-
Cevane-3β,4β,7α,14,15α,16β,20-heptol, 4,9-epoxy- (8CI)

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

BRN 0099115 [DBID]
NSC 23881 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 688.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 370.0±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -3.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.09
Polar Surface Area: 154 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 82.9±5.0 dyne/cm
Molar Volume: 341.4±5.0 cm3

Click to predict properties on the Chemicalize site


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