ChemSpider 2D Image | Solamargine | C45H73NO15

Solamargine

  • Molecular FormulaC45H73NO15
  • Average mass868.059 Da
  • Monoisotopic mass867.498047 Da
  • ChemSpider ID52563678

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(3β,25R)-Spirosol-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,25R)-Spirosol-5-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-6-desoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
20311-51-7 [RN]
6-Désoxy-α-L-mannopyranosyl-(1->2)-6-désoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranoside de (3β,25R)-spirosol-5-én-3-yle [French] [ACD/IUPAC Name]
Solamargine [Wiki]
β-D-Glucopyranoside, (3β,25R)-spirosol-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-6-deoxy-α-L-mannopyranosyl-(1->4)- [ACD/Index Name]
1135808-06-8 [RN]
20318-30-3 [RN]
MFCD00210557
MFCD30207844
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.619
    Molar Refractivity: 219.4±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 9
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 4
    ACD/LogP: 5.41
    ACD/LogD (pH 5.5): 1.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.65
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 27.15
    ACD/KOC (pH 7.4): 154.31
    Polar Surface Area: 238 Å2
    Polarizability: 87.0±0.5 10-24cm3
    Surface Tension: 68.7±5.0 dyne/cm
    Molar Volume: 625.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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