ChemSpider 2D Image | Octyl 3,6-di-O-(alpha-D-mannopyranosyl)-beta-D-mannopyranoside | C26H48O16

Octyl 3,6-di-O-(α-D-mannopyranosyl)-β-D-mannopyranoside

  • Molecular FormulaC26H48O16
  • Average mass616.650 Da
  • Monoisotopic mass616.294250 Da
  • ChemSpider ID116819

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

140147-36-0 [RN]
Octyl 3,6-di-O-(α-D-mannopyranosyl)-β-D-mannopyranoside
Octyl α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-β-D-mannopyranoside [ACD/IUPAC Name]
Octyl-α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-β-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->6)]-β-D-mannopyranoside d'octyle [French] [ACD/IUPAC Name]
β-D-Mannopyranoside, octyl O-α-D-mannopyranosyl-(1->3)-O-[α-D-mannopyranosyl-(1->6)]- [ACD/Index Name]
(2S,3S,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-3,5-DIHYDROXY-6-(OCTYLOXY)-4-{[(2R,3S,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]METHOXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL
[140147-36-0] [RN]
MFCD02683386
n-Octyl 3,6-Di-O-(a-D-mannopyranosyl)-b-D-mannopyranoside
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 870.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 143.8±6.0 kJ/mol
    Flash Point: 480.5±34.3 °C
    Index of Refraction: 1.597
    Molar Refractivity: 141.8±0.4 cm3
    #H bond acceptors: 16
    #H bond donors: 10
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: -1.78
    ACD/LogD (pH 5.5): -1.78
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.54
    ACD/LogD (pH 7.4): -1.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.54
    Polar Surface Area: 258 Å2
    Polarizability: 56.2±0.5 10-24cm3
    Surface Tension: 80.2±5.0 dyne/cm
    Molar Volume: 416.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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