ChemSpider 2D Image | O10-natafuranamine | C33H46N2O4

O10-natafuranamine

  • Molecular FormulaC33H46N2O4
  • Average mass534.729 Da
  • Monoisotopic mass534.345764 Da
  • ChemSpider ID26391129
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

Benzamide, N-[(2R,3S,3aR,6aS,9S,10S,10aR,11S,12aR,12bS)-3-[(1S)-1-(dimethylamino)ethyl]-2,3,3a,4,6,9,10,10a,11,12,12a,12b-dodecahydro-2,11-dihydroxy-3a,10,12b-trimethyl-1H-6a,10-(epoxymethano)benzo[4, 5]cyclohept[1,2-e]inden-9-yl]- [ACD/Index Name]
N-{(1S,6R,7S,8R,10S,11R,13S,14R,15S,16S)-7-[(1S)-1-(Dimethylamino)ethyl]-8,13-dihydroxy-6,10,15-trimethyl-19-oxapentacyclo[13.3.2.01,14.03,11.06,10]icosa-3,17-dien-16-yl}benzamid [German] [ACD/IUPAC Name]
N-{(1S,6R,7S,8R,10S,11R,13S,14R,15S,16S)-7-[(1S)-1-(Dimethylamino)ethyl]-8,13-dihydroxy-6,10,15-trimethyl-19-oxapentacyclo[13.3.2.01,14.03,11.06,10]icosa-3,17-dien-16-yl}benzamide [ACD/IUPAC Name]
N-{(1S,6R,7S,8R,10S,11R,13S,14R,15S,16S)-7-[(1S)-1-(Diméthylamino)éthyl]-8,13-dihydroxy-6,10,15-triméthyl-19-oxapentacyclo[13.3.2.01,14.03,11.06,10]icosa-3,17-dién-16-yl}benzamide [French] [ACD/IUPAC Name]
O10-natafuranamine
1254950-50-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 704.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.9±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 153.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.38
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 3.91
ACD/KOC (pH 7.4): 24.40
Polar Surface Area: 82 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 438.9±5.0 cm3

Click to predict properties on the Chemicalize site






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