ChemSpider 2D Image | actodigin | C29H44O9

actodigin

  • Molecular FormulaC29H44O9
  • Average mass536.654 Da
  • Monoisotopic mass536.298523 Da
  • ChemSpider ID10128567

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3b,5b,14b)-3-(b-D-Glucopyranosyloxy)-14,23-dihydroxy-24-nor-5,14-chol-20(22)-en-21-oic Acid g-Lactone
(3β,5β,14β,17β)-14-Hydroxy-17-(2-oxo-2,5-dihydro-3-furanyl)androstan-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5β,14β,17β)-14-Hydroxy-17-(2-oxo-2,5-dihydro-3-furanyl)androstan-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(3β,5β,14β,17β)-14-Hydroxy-17-(2-oxo-2,5-dihydrofuran-3-yl)androstan-3-yl β-D-glucopyranoside
2(5H)-Furanone, 3-[(3β,5β,14β,17β)-3-(β-D-glucopyranosyloxy)-14-hydroxyandrostan-17-yl]- [ACD/Index Name]
36983-69-4 [RN]
3b-(b-D-Glucopyranosyloxy)-14,23-dihydroxy-24-nor-5b,14b-chol-20(22)-en-21-oic Acid g-Lactone
3β-(β-D-Glucopyranosyloxy)-14,23-dihydroxy-24-nor-5β,14β-chol-20(22)-en-21-oic acid γ-lactone
9E4KL95FK9
actodigin [USAN]
More...

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

3632 [DBID]
AY 22241 [DBID]
D02763 [DBID]
NSC 53396 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 735.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.5 mmHg at 25°C
    Enthalpy of Vaporization: 122.5±6.0 kJ/mol
    Flash Point: 239.3±26.4 °C
    Index of Refraction: 1.614
    Molar Refractivity: 136.6±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 5
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 0.99
    ACD/LogD (pH 5.5): 1.40
    ACD/BCF (pH 5.5): 6.85
    ACD/KOC (pH 5.5): 137.96
    ACD/LogD (pH 7.4): 1.40
    ACD/BCF (pH 7.4): 6.85
    ACD/KOC (pH 7.4): 137.95
    Polar Surface Area: 146 Å2
    Polarizability: 54.1±0.5 10-24cm3
    Surface Tension: 66.3±5.0 dyne/cm
    Molar Volume: 392.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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