ChemSpider 2D Image | (1R,2S,3R,6R,7R,9S,10S,11S,12R,13R,14S)-11-Isopropyl-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0~2,6~.0~7,13~.0~10,14~]pentadecane-6,9,11,12,14-pentol | C20H32O6

(1R,2S,3R,6R,7R,9S,10S,11S,12R,13R,14S)-11-Isopropyl-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,11,12,14-pentol

  • Molecular FormulaC20H32O6
  • Average mass368.465 Da
  • Monoisotopic mass368.219879 Da
  • ChemSpider ID28424537

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2S,3R,6R,7R,9S,10S,11S,12R,13R,14S)-11-Isopropyl-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecan-6,9,11,12,14-pentol [German] [ACD/IUPAC Name]
(1R,2S,3R,6R,7R,9S,10S,11S,12R,13R,14S)-11-Isopropyl-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,11,12,14-pentol [ACD/IUPAC Name]
(1R,2S,3R,6R,7R,9S,10S,11S,12R,13R,14S)-11-Isopropyl-3,7,10-triméthyl-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadécane-6,9,11,12,14-pentol [French] [ACD/IUPAC Name]
2,5-Methano-2H-s-indaceno[8,1-bc]furan-2,3,4,5a,8c(4H,6H)-pentol, octahydro-2a,5,8-trimethyl-3-(1-methylethyl)-, (2S,2aS,3S,4R,4aR,5R,5aR,8R,8aS,8bR,8cS)- [ACD/Index Name]
[1033747-78-2] [RN]
1033747-78-2 [RN]
Itol A
MFCD20260805

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 524.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 91.9±6.0 kJ/mol
    Flash Point: 271.3±30.1 °C
    Index of Refraction: 1.672
    Molar Refractivity: 93.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 5
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 2.27
    ACD/LogD (pH 5.5): 1.73
    ACD/BCF (pH 5.5): 12.15
    ACD/KOC (pH 5.5): 207.97
    ACD/LogD (pH 7.4): 1.73
    ACD/BCF (pH 7.4): 12.15
    ACD/KOC (pH 7.4): 207.96
    Polar Surface Area: 110 Å2
    Polarizability: 37.2±0.5 10-24cm3
    Surface Tension: 82.4±3.0 dyne/cm
    Molar Volume: 250.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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