ChemSpider 2D Image | 2-Methyl-2-propanyl {(2S)-4-amino-1-[(6aS,7aR,11aS,12aS)-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]-1,4-dioxo-2-butanyl}carbamate (non-preferred name) | C26H37N3O6

2-Methyl-2-propanyl {(2S)-4-amino-1-[(6aS,7aR,11aS,12aS)-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]-1,4-dioxo-2-butanyl}carbamate (non-preferred name)

  • Molecular FormulaC26H37N3O6
  • Average mass487.589 Da
  • Monoisotopic mass487.268250 Da
  • ChemSpider ID60574557

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{(2S)-4-Amino-1-[(6aS,7aR,11aS,12aS)-6,6-diméthyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chroméno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]-1,4-dioxo-2-butanyl}carbamate de 2-méthyl-2-propanyle (non-prefe rred name) [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S)-4-amino-1-[(6aS,7aR,11aS,12aS)-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]-1,4-dioxo-2-butanyl}carbamate (non-preferred name) [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S)-4-amino-1-[(6aS,7aR,11aS,12aS)-6,6-dimethyl-6a,7a,10,11,11a,12a-hexahydro-6H,7H-chromeno[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]-1,4-dioxo-2-butanyl}carbamat (non-preferred name) [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-3-amino-1-[[(6aS,7aR,11aS,12aS)-6a,7a,10,11,11a,12a-hexahydro-6,6-dimethyl-6H,7H-[1]benzopyrano[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]carbonyl]-3-oxopropyl]-, 1,1-dimethylethy l ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.9±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 574.05
ACD/KOC (pH 5.5): 3284.42
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 573.92
ACD/KOC (pH 7.4): 3283.65
Polar Surface Area: 120 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 412.1±3.0 cm3

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