ChemSpider 2D Image | (3beta,22alpha,25R)-Spirosol-5-en-3-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C39H63NO11

(3β,22α,25R)-Spirosol-5-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC39H63NO11
  • Average mass721.918 Da
  • Monoisotopic mass721.440125 Da
  • ChemSpider ID10181215

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,22α,25R)-Spirosol-5-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,22α,25R)-Spirosol-5-en-3-yl-4-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,22α,25R)-spirosol-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,22α,25R)-spirosol-5-en-3-yl 4-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
(2S,3R,4R,5R,6S)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidin]-18-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
[32449-98-2] [RN]
32449-98-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL446743/
khasianine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 847.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 140.0±6.0 kJ/mol
    Flash Point: 466.3±34.3 °C
    Index of Refraction: 1.611
    Molar Refractivity: 187.2±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 7
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 3
    ACD/LogP: 4.67
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.34
    ACD/LogD (pH 7.4): 2.35
    ACD/BCF (pH 7.4): 17.13
    ACD/KOC (pH 7.4): 111.03
    Polar Surface Area: 180 Å2
    Polarizability: 74.2±0.5 10-24cm3
    Surface Tension: 63.9±5.0 dyne/cm
    Molar Volume: 539.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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