ChemSpider 2D Image | Prosapogenin A | C39H62O12

Prosapogenin A

  • Molecular FormulaC39H62O12
  • Average mass722.902 Da
  • Monoisotopic mass722.424133 Da
  • ChemSpider ID9236733

  • 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 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-Spirost-5-en-3-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
19057-67-1 [RN]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3β,25R)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
Prosapogenin A
β-D-Glucopyranoside, (3β,25R)-spirost-5-en-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]
(25R)-spirost-5en-3β-ol 3-O-α-L-rhamnopyranosyl-(1-2)-β-D-glucopyranoside
[19057-67-1] [RN]
3-O-(Rhaa1-2Glcb)-(25R)-spirost-5en-3β-ol
diosgenin O-??-L-rhamnopyranosyl-(1->2)-??-D-glucopyranoside
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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: 838.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 138.7±6.0 kJ/mol
    Flash Point: 461.1±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: 6.90
    ACD/LogD (pH 5.5): 5.41
    ACD/BCF (pH 5.5): 7646.81
    ACD/KOC (pH 5.5): 20959.74
    ACD/LogD (pH 7.4): 5.41
    ACD/BCF (pH 7.4): 7646.73
    ACD/KOC (pH 7.4): 20959.51
    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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