ChemSpider 2D Image | (3beta,9xi,14xi,25R)-Spirost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside | C45H72O17

(3β,9ξ,14ξ,25R)-Spirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranoside

  • Molecular FormulaC45H72O17
  • Average mass885.043 Da
  • Monoisotopic mass884.476929 Da
  • ChemSpider ID17461212

  • defined stereocentres - 24 of 26 defined stereocentres

More details:

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

(3β,9ξ,14ξ,25R)-Spirost-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,9ξ,14ξ,25R)-Spirost-5-en-3-yl-6-desoxy-α-L-mannopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranoside de (3β,9ξ,14ξ,25R)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,9ξ,14ξ,25R)-spirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-[β-D-glucopyranosyl-(1->2)]- [ACD/Index Name]

    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: 1.623
    Molar Refractivity: 219.0±0.4 cm3
    #H bond acceptors: 17
    #H bond donors: 9
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 4.24
    ACD/LogD (pH 5.5): 3.24
    ACD/BCF (pH 5.5): 171.57
    ACD/KOC (pH 5.5): 1382.74
    ACD/LogD (pH 7.4): 3.24
    ACD/BCF (pH 7.4): 171.57
    ACD/KOC (pH 7.4): 1382.74
    Polar Surface Area: 256 Å2
    Polarizability: 86.8±0.5 10-24cm3
    Surface Tension: 72.1±5.0 dyne/cm
    Molar Volume: 621.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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