ChemSpider 2D Image | (9R)-3-[(2R,5S,6S)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]-7a-{[(2S,5S,6S)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4,9-dihydroxy-9-methyl-7a,8,9,10-tetrahydro-6aH-oxireno[1 2a,12b]tetrapheno[6a,6-b]oxirene-5,11,13(7H)-trione | C35H46N2O10

(9R)-3-[(2R,5S,6S)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]-7a-{[(2S,5S,6S)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4,9-dihydroxy-9-methyl-7a,8,9,10-tetrahydro-6aH-oxireno[1 2a,12b]tetrapheno[6a,6-b]oxirene-5,11,13(7H)-trione

  • Molecular FormulaC35H46N2O10
  • Average mass654.747 Da
  • Monoisotopic mass654.315247 Da
  • ChemSpider ID40256519

  • defined stereocentres - 7 of 12 defined stereocentres

More details:

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

(9R)-3-[(2R,5S,6S)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]-7a-{[(2S,5S,6S)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4,9-dihydroxy-9-methyl-7a,8,9,10-tetrahydro-6aH-oxireno[1 2a,12b]tetrapheno[6a,6-b]oxiren-5,11,13(7H)-trion [German] [ACD/IUPAC Name]
(9R)-3-[(2R,5S,6S)-5-(Dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]-7a-{[(2S,5S,6S)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4,9-dihydroxy-9-methyl-7a,8,9,10-tetrahydro-6aH-oxireno[1 2a,12b]tetrapheno[6a,6-b]oxirene-5,11,13(7H)-trione [ACD/IUPAC Name]
(9R)-3-[(2R,5S,6S)-5-(Diméthylamino)-6-méthyltétrahydro-2H-pyran-2-yl]-7a-{[(2S,5S,6S)-5-(diméthylamino)-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-4,9-dihydroxy-9-méthyl-7a,8,9,10-tétrahydro-6aH-oxiréno[1 2a,12b]tétraphéno[6a,6-b]oxirène-5,11,13(7H)-trione [French] [ACD/IUPAC Name]
Monacyclinone F

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

Density: 1.4±0.1 g/cm3
Boiling Point: 801.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 438.3±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 166.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.27
Polar Surface Area: 151 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 461.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement