ChemSpider 2D Image | (1beta,11alpha,12alpha,15beta)-1,11,12,14,15-Pentahydroxy-11,20:13,21-diepoxypicras-3-ene-2,16-dione | C20H24O10

(1β,11α,12α,15β)-1,11,12,14,15-Pentahydroxy-11,20:13,21-diepoxypicras-3-ene-2,16-dione

  • Molecular FormulaC20H24O10
  • Average mass424.399 Da
  • Monoisotopic mass424.136932 Da
  • ChemSpider ID57583014
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(1β,11α,12α,15β)-1,11,12,14,15-Pentahydroxy-11,20:13,21-diepoxypicras-3-en-2,16-dion [German] [ACD/IUPAC Name]
(1β,11α,12α,15β)-1,11,12,14,15-Pentahydroxy-11,20:13,21-diepoxypicras-3-ene-2,16-dione [ACD/IUPAC Name]
(1β,11α,12α,15β)-1,11,12,14,15-Pentahydroxy-11,20:13,21-diépoxypicras-3-ène-2,16-dione [French] [ACD/IUPAC Name]
Picras-3-ene-2,16-dione, 11,20:13,21-diepoxy-1,11,12,14,15-pentahydroxy-, (1β,11α,12α,15β)- [ACD/Index Name]
(1?,?11?,?12?,?15?)?-11,?20:13,?21-?diepoxy-?1,?11,?12,?14,?15-?pentahydroxy-Picras-?3-?ene-?2,?16-?dione
(1R,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethylspiro[3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-6,2'-oxirane]-9,16-dione
138809-10-6 [RN]
PASAKBUMIN B

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 724.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.3 mmHg at 25°C
    Enthalpy of Vaporization: 120.8±6.0 kJ/mol
    Flash Point: 260.4±26.4 °C
    Index of Refraction: 1.714
    Molar Refractivity: 95.1±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 2
    ACD/LogP: 0.72
    ACD/LogD (pH 5.5): -0.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.95
    ACD/LogD (pH 7.4): -0.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 11.95
    Polar Surface Area: 166 Å2
    Polarizability: 37.7±0.5 10-24cm3
    Surface Tension: 98.7±5.0 dyne/cm
    Molar Volume: 242.3±5.0 cm3

    Click to predict properties on the Chemicalize site






    Advertisement