ChemSpider 2D Image | (3beta,25R)-Spirost-5-en-3-yl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C39H62O12

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

  • Molecular FormulaC39H62O12
  • Average mass722.902 Da
  • Monoisotopic mass722.424133 Da
  • ChemSpider ID23291695

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,25R)-Spirost-5-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-Spirost-5-en-3-yl-3-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,25R)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-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'-oxane]-16-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
[76296-71-4] [RN]
76296-71-4 [RN]
CID 44429637
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL395646/
MFCD14155628
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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: 849.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 140.3±6.0 kJ/mol
    Flash Point: 467.3±34.3 °C
    Index of Refraction: 1.605
    Molar Refractivity: 185.3±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 4
    ACD/LogP: 6.70
    ACD/LogD (pH 5.5): 5.32
    ACD/BCF (pH 5.5): 6554.54
    ACD/KOC (pH 5.5): 18770.35
    ACD/LogD (pH 7.4): 5.32
    ACD/BCF (pH 7.4): 6554.46
    ACD/KOC (pH 7.4): 18770.12
    Polar Surface Area: 177 Å2
    Polarizability: 73.4±0.5 10-24cm3
    Surface Tension: 63.3±5.0 dyne/cm
    Molar Volume: 537.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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