ChemSpider 2D Image | (+)-gomisin M2 | C22H26O6

(+)-gomisin M2

  • Molecular FormulaC22H26O6
  • Average mass386.438 Da
  • Monoisotopic mass386.172943 Da
  • ChemSpider ID25026801

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(+)-gomisin M2
(6S,7R)-1,2,3-Trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-13-ol [German] [ACD/IUPAC Name]
(6S,7R)-1,2,3-Trimethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-13-ol [ACD/IUPAC Name]
(6S,7R)-1,2,3-Triméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-13-ol [French] [ACD/IUPAC Name]
82425-45-4 [RN]
Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-13-ol, 5,6,7,8-tetrahydro-1,2,3-trimethoxy-6,7-dimethyl-, (6S,7R)- [ACD/Index Name]
(+)gomisin m2
[82425-45-4] [RN]
Gomisin M2
GOMISIN M2, (+)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1A09299J9W [DBID]
UNII:1A09299J9W [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 558.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.2±3.0 kJ/mol
    Flash Point: 291.7±30.1 °C
    Index of Refraction: 1.564
    Molar Refractivity: 105.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.34
    ACD/LogD (pH 5.5): 4.19
    ACD/BCF (pH 5.5): 902.86
    ACD/KOC (pH 5.5): 4541.40
    ACD/LogD (pH 7.4): 4.18
    ACD/BCF (pH 7.4): 878.86
    ACD/KOC (pH 7.4): 4420.70
    Polar Surface Area: 66 Å2
    Polarizability: 41.7±0.5 10-24cm3
    Surface Tension: 42.7±3.0 dyne/cm
    Molar Volume: 323.1±3.0 cm3

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