Found 5 results

Search term: PAIASCMUTMHGHU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | ?-peltatin-?-D-glucoside | C28H32O13

?-peltatin-?-D-glucoside

  • Molecular FormulaC28H32O13
  • Average mass576.546 Da
  • Monoisotopic mass576.184265 Da
  • ChemSpider ID4885051

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5aR,8aR,9R)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-4-yl β-D-glucopyranoside [ACD/IUPAC Name]
(5aR,8aR,9R)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-4-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
?-peltatin-?-D-glucoside
11024-59-2 [RN]
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 10-(β-D-glucopyranosyloxy)-5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR)- [ACD/Index Name]
β-D-Glucopyranoside de (5aR,8aR,9R)-8-oxo-9-(3,4,5-triméthoxyphényl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-4-yle [French] [ACD/IUPAC Name]
(-)-β-peltatin-5-o-β-d-glucopyranoside
(5aR,8aR,9R)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
(5R,5aR,8aR)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
(5R,5aR,8aR)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-isobenzofurano[6,5-f][1,3]benzodioxol-6-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1673AQJ022 [DBID]
UNII:1673AQJ022 [DBID]
UNII-1673AQJ022 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 798.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 121.7±3.0 kJ/mol
    Flash Point: 264.2±26.4 °C
    Index of Refraction: 1.623
    Molar Refractivity: 138.4±0.3 cm3
    #H bond acceptors: 13
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: -0.80
    ACD/LogD (pH 5.5): -0.24
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 17.57
    ACD/LogD (pH 7.4): -0.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 17.57
    Polar Surface Area: 172 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 63.5±3.0 dyne/cm
    Molar Volume: 392.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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