ChemSpider 2D Image | 2-Methyl-2-propanyl (6R,6aS,7aS,11aS,12aS)-2-(3-hydroxy-2,2-dimethylpropoxy)-6-methyl-6-(4-methyl-3-penten-1-yl)-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridine-9(8H)-carb oxylate | C32H49NO6

2-Methyl-2-propanyl (6R,6aS,7aS,11aS,12aS)-2-(3-hydroxy-2,2-dimethylpropoxy)-6-methyl-6-(4-methyl-3-penten-1-yl)-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridine-9(8H)-carb oxylate

  • Molecular FormulaC32H49NO6
  • Average mass543.735 Da
  • Monoisotopic mass543.356018 Da
  • ChemSpider ID60574769

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R,6aS,7aS,11aS,12aS)-2-(3-Hydroxy-2,2-diméthylpropoxy)-6-méthyl-6-(4-méthyl-3-pentén-1-yl)-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chroméno[3',4':5,6]pyrano[3,2-c]pyridine-9(8H)-carboxylate de 2-méthyl- 2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (6R,6aS,7aS,11aS,12aS)-2-(3-hydroxy-2,2-dimethylpropoxy)-6-methyl-6-(4-methyl-3-penten-1-yl)-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridine-9(8H)-carb oxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(6R,6aS,7aS,11aS,12aS)-2-(3-hydroxy-2,2-dimethylpropoxy)-6-methyl-6-(4-methyl-3-penten-1-yl)-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-carbo xylat [German] [ACD/IUPAC Name]
6H,7H-[1]Benzopyrano[3',4':5,6]pyrano[3,2-c]pyridine-9(8H)-carboxylic acid, 6a,7a,10,11,11a,12a-hexahydro-2-(3-hydroxy-2,2-dimethylpropoxy)-6-methyl-6-(4-methyl-3-penten-1-yl)-, 1,1-dimethylethyl este r, (6R,6aS,7aS,11aS,12aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 616.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 326.9±31.5 °C
Index of Refraction: 1.519
Molar Refractivity: 152.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 202560.30
ACD/KOC (pH 5.5): 218779.84
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 202560.30
ACD/KOC (pH 7.4): 218779.84
Polar Surface Area: 77 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 503.6±3.0 cm3

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