ChemSpider 2D Image | Polyphyllin VI | C39H62O13

Polyphyllin VI

  • Molecular FormulaC39H62O13
  • Average mass738.902 Da
  • Monoisotopic mass738.419067 Da
  • ChemSpider ID30783497

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,25R)-17-Hydroxyspirost-5-en-3-yl 2-O-(6-deoxy-β-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-17-Hydroxyspirost-5-en-3-yl-2-O-(6-desoxy-β-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-β-L-mannopyranosyl)-β-D-glucopyranoside de (3β,25R)-17-hydroxyspirost-5-én-3-yle [French] [ACD/IUPAC Name]
55916-51-3 [RN]
Polyphyllin VI
β-D-Glucopyranoside, (3β,25R)-17-hydroxyspirost-5-en-3-yl 2-O-(6-deoxy-β-L-mannopyranosyl)- [ACD/Index Name]
(2R,3R,4R,5R,6S)-2-(((2R,3R,4S,5S,6R)-4,5-dihydroxy-2-(((2'R,4S,5'R,6aR,6bS,8aS,8bS,9S,11aS,12aS,12bR)-8b-hydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
[55916-51-3] [RN]
CID 71307571
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 871.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 143.9±6.0 kJ/mol
    Flash Point: 480.7±34.3 °C
    Index of Refraction: 1.616
    Molar Refractivity: 186.8±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 7
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 4
    ACD/LogP: 6.09
    ACD/LogD (pH 5.5): 4.62
    ACD/BCF (pH 5.5): 1903.03
    ACD/KOC (pH 5.5): 7745.05
    ACD/LogD (pH 7.4): 4.62
    ACD/BCF (pH 7.4): 1903.01
    ACD/KOC (pH 7.4): 7744.96
    Polar Surface Area: 197 Å2
    Polarizability: 74.1±0.5 10-24cm3
    Surface Tension: 67.4±5.0 dyne/cm
    Molar Volume: 534.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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