ChemSpider 2D Image | Protosappanin B | C16H16O6

Protosappanin B

  • Molecular FormulaC16H16O6
  • Average mass304.295 Da
  • Monoisotopic mass304.094696 Da
  • ChemSpider ID31047848

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7S)-7-(Hydroxymethyl)-7,8-dihydro-6H-dibenzo[b,d]oxocin-3,7,10,11-tetrol [German] [ACD/IUPAC Name]
(7S)-7-(Hydroxymethyl)-7,8-dihydro-6H-dibenzo[b,d]oxocine-3,7,10,11-tetrol [ACD/IUPAC Name]
(7S)-7-(Hydroxyméthyl)-7,8-dihydro-6H-dibenzo[b,d]oxocine-3,7,10,11-tétrol [French] [ACD/IUPAC Name]
102036-29-3 [RN]
6H-Dibenz[b,d]oxocin-3,7,10,11-tetrol, 7,8-dihydro-7-(hydroxymethyl)-, (7S)- [ACD/Index Name]
Protosappanin B
(7S)-3,7,10,11-Tetrahydroxy-7,8-dihydro-6H-dibenzo[b,d]oxocin-7-methanol
6H-Dibenz[b,d]oxocin-3,7,10,11-tetrol,7,8-dihydro-7-(hydroxymethyl)-, (7S,12aS)-
MFCD20527297
MFCD29048516
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 655.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.4±3.0 kJ/mol
    Flash Point: 350.2±31.5 °C
    Index of Refraction: 1.700
    Molar Refractivity: 78.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 5
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): 1.26
    ACD/BCF (pH 5.5): 5.35
    ACD/KOC (pH 5.5): 115.58
    ACD/LogD (pH 7.4): 1.25
    ACD/BCF (pH 7.4): 5.19
    ACD/KOC (pH 7.4): 112.09
    Polar Surface Area: 110 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 82.7±3.0 dyne/cm
    Molar Volume: 201.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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