ChemSpider 2D Image | 6-I-RTX | C37H39IO9

6-I-RTX

  • Molecular FormulaC37H39IO9
  • Average mass754.605 Da
  • Monoisotopic mass754.163879 Da
  • ChemSpider ID35466999

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(4-Hydroxy-2-iodo-5-méthoxyphényl)acétate de [(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-15-isopropényl-4,17-diméthyl-5-oxo-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadéca-3, 
8-dién-8-yl]méthyle [French] [ACD/IUPAC Name]
[(1R,2R,6R,10S,11R,13S,15R,17R)-13-Benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5-oxo-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl (4-hydroxy-2-iodo-5-methox yphenyl)acetate [ACD/IUPAC Name]
[(1R,2R,6R,10S,11R,13S,15R,17R)-13-Benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5-oxo-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl-(4-hydroxy-2-iod-5-methoxy phenyl)acetat [German] [ACD/IUPAC Name]
6'-Iodoresiniferatoxin
6-I-RTX
Benzeneacetic acid, 4-hydroxy-2-iodo-5-methoxy-, [(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epox yazuleno[4',5':5,6]benzo[1,2-d]-1,3-dioxol-5-yl]methyl ester [ACD/Index Name]
MFCD09971005
Resiniferonyl 20-(4-hydroxy-2-iodo-5-methoxyphenylacetate 9,13,14-ortho(phenylacetate)
335151-55-8 [RN]
6’-Iodoresiniferatoxin

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 813.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 123.9±3.0 kJ/mol
    Flash Point: 445.5±34.3 °C
    Index of Refraction: 1.671
    Molar Refractivity: 180.8±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 7.37
    ACD/LogD (pH 5.5): 6.81
    ACD/BCF (pH 5.5): 87655.77
    ACD/KOC (pH 5.5): 120111.24
    ACD/LogD (pH 7.4): 6.80
    ACD/BCF (pH 7.4): 85577.62
    ACD/KOC (pH 7.4): 117263.63
    Polar Surface Area: 121 Å2
    Polarizability: 71.7±0.5 10-24cm3
    Surface Tension: 66.2±5.0 dyne/cm
    Molar Volume: 483.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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