ChemSpider 2D Image | penochalasin A | C32H35N3O3

penochalasin A

  • Molecular FormulaC32H35N3O3
  • Average mass509.639 Da
  • Monoisotopic mass509.267853 Da
  • ChemSpider ID10251197
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(2R,5S,6R,7S,8R,10S,11R,12E,15S,16E)-5-(1H-Indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.02,6.02,11.08,10]docosa-1(21),12,16,19-tetraen-3,18-dion [German] [ACD/IUPAC Name]
(2R,5S,6R,7S,8R,10S,11R,12E,15S,16E)-5-(1H-Indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.02,6.02,11.08,10]docosa-1(21),12,16,19-tetraene-3,18-dione [ACD/IUPAC Name]
(2R,5S,6R,7S,8R,10S,11R,12E,15S,16E)-5-(1H-Indol-3-ylméthyl)-7,8,15,17-tétraméthyl-9-oxa-4,22-diazapentacyclo[17.2.1.02,6.02,11.08,10]docosa-1(21),12,16,19-tétraène-3,18-dione [French] [ACD/IUPAC Name]
8,11-Imino-3H-cyclotridec[d]oxireno[f]isoindole-7,12(4H,13H)-dione, 14,14a,15,15a,16a,16b-hexahydro-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-, (1E,4S,5E,11aR,14S,14aR,15S,15aR,16aS,16bR)- [ACD/Index Name]
penochalasin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 782.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.9±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 795.89
ACD/KOC (pH 5.5): 4149.86
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 795.90
ACD/KOC (pH 7.4): 4149.87
Polar Surface Area: 90 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 390.2±5.0 cm3

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