ChemSpider 2D Image | 2-Methyl-2-propanyl {1-[(2S)-2-{[(6aR,7aS,11aR,12aR)-3-methoxy-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]carbonyl}-1-pyrrolidinyl]-1-oxo-2-propa nyl}carbamate | C31H45N3O7

2-Methyl-2-propanyl {1-[(2S)-2-{[(6aR,7aS,11aR,12aR)-3-methoxy-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]carbonyl}-1-pyrrolidinyl]-1-oxo-2-propa nyl}carbamate

  • Molecular FormulaC31H45N3O7
  • Average mass571.705 Da
  • Monoisotopic mass571.325745 Da
  • ChemSpider ID60574587

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

{1-[(2S)-2-{[(6aR,7aS,11aR,12aR)-3-Méthoxy-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]carbonyl}-1-pyrrolidinyl]-1-oxo-2-propanyl}carbamate de 2-m éthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {1-[(2S)-2-{[(6aR,7aS,11aR,12aR)-3-methoxy-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]carbonyl}-1-pyrrolidinyl]-1-oxo-2-propa nyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[(2S)-2-{[(6aR,7aS,11aR,12aR)-3-methoxy-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]carbonyl}-1-pyrrolidinyl]-1-oxo-2-propa nyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[(2S)-2-[[(6aR,7aS,11aR,12aR)-6a,7a,10,11,11a,12a-hexahydro-3-methoxy-6,6-dimethyl-6H,7H-[1]benzopyrano[3',4':5,6]pyrano[3,2-c]pyridin-9(8H)-yl]carbonyl]-1-pyrrolidinyl]-1-methyl-2 -oxoethyl]-, 1,1-dimethylethyl 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: 729.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 394.8±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 151.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1093.52
ACD/KOC (pH 5.5): 5209.43
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1093.42
ACD/KOC (pH 7.4): 5208.96
Polar Surface Area: 107 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 485.9±3.0 cm3

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