ChemSpider 2D Image | N-({(3R,4aR,6aR,7S,8R,10aS,10bR)-8-Hydroxy-6a,10b-dimethyl-7-[2-(4-morpholinyl)-2-oxoethyl]decahydro-1H-naphtho[2,1-d][1,3]dioxin-3-yl}methyl)-5-methyl-1,2-oxazole-3-carboxamide | C26H39N3O7

N-({(3R,4aR,6aR,7S,8R,10aS,10bR)-8-Hydroxy-6a,10b-dimethyl-7-[2-(4-morpholinyl)-2-oxoethyl]decahydro-1H-naphtho[2,1-d][1,3]dioxin-3-yl}methyl)-5-methyl-1,2-oxazole-3-carboxamide

  • Molecular FormulaC26H39N3O7
  • Average mass505.604 Da
  • Monoisotopic mass505.278809 Da
  • ChemSpider ID10059330

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

3-Isoxazolecarboxamide, N-[[(3R,4aR,6aR,7S,8R,10aS,10bR)-decahydro-8-hydroxy-6a,10b-dimethyl-7-[2-(4-morpholinyl)-2-oxoethyl]-1H-naphtho[2,1-d][1,3]dioxin-3-yl]methyl]-5-methyl- [ACD/Index Name]
N-({(3R,4aR,6aR,7S,8R,10aS,10bR)-8-Hydroxy-6a,10b-dimethyl-7-[2-(4-morpholinyl)-2-oxoethyl]decahydro-1H-naphtho[2,1-d][1,3]dioxin-3-yl}methyl)-5-methyl-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
N-({(3R,4aR,6aR,7S,8R,10aS,10bR)-8-Hydroxy-6a,10b-dimethyl-7-[2-(4-morpholinyl)-2-oxoethyl]decahydro-1H-naphtho[2,1-d][1,3]dioxin-3-yl}methyl)-5-methyl-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
N-({(3R,4aR,6aR,7S,8R,10aS,10bR)-8-Hydroxy-6a,10b-diméthyl-7-[2-(4-morpholinyl)-2-oxoéthyl]décahydro-1H-naphto[2,1-d][1,3]dioxin-3-yl}méthyl)-5-méthyl-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]

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

ZINC04236937 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 716.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.4±32.9 °C
Index of Refraction: 1.539
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.72
ACD/KOC (pH 5.5): 89.12
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 89.12
Polar Surface Area: 123 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 412.9±3.0 cm3

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