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Search term: 63002591 (Found by CSID)
ChemSpider 2D Image | 18-oxo-19-hydroxyl-19,20-dihydrophomacin C | C26H39NO5

18-oxo-19-hydroxyl-19,20-dihydrophomacin C

  • Molecular FormulaC26H39NO5
  • Average mass445.592 Da
  • Monoisotopic mass445.282837 Da
  • ChemSpider ID63002591

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,3aR,4S,6aS,7E,10S,13R,15aS)-10-(Hydroxymethyl)-3-isobutyl-13-methoxy-4,5,8-trimethyl-2,3,3a,4,6a,9,10,11,13,14-decahydro-1H-cycloundeca[d]isoindol-1,12,15-trion [German] [ACD/IUPAC Name]
(3S,3aR,4S,6aS,7E,10S,13R,15aS)-10-(Hydroxymethyl)-3-isobutyl-13-methoxy-4,5,8-trimethyl-2,3,3a,4,6a,9,10,11,13,14-decahydro-1H-cycloundeca[d]isoindole-1,12,15-trione [ACD/IUPAC Name]
(3S,3aR,4S,6aS,7E,10S,13R,15aS)-10-(Hydroxyméthyl)-3-isobutyl-13-méthoxy-4,5,8-triméthyl-2,3,3a,4,6a,9,10,11,13,14-décahydro-1H-cycloundéca[d]isoindole-1,12,15-trione [French] [ACD/IUPAC Name]
18-oxo-19-hydroxyl-19,20-dihydrophomacin C
1H-Cycloundec[d]isoindole-1,12,15-trione, 2,3,3a,4,6a,9,10,11,13,14-decahydro-10-(hydroxymethyl)-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,10S,13R,15aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 633.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.4±6.0 kJ/mol
Flash Point: 337.2±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 122.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.61
ACD/KOC (pH 5.5): 917.27
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.61
ACD/KOC (pH 7.4): 917.27
Polar Surface Area: 93 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 390.8±5.0 cm3

Click to predict properties on the Chemicalize site


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