ChemSpider 2D Image | Propyl 3,6-di-O-methyl-beta-D-glucopyranosyl-(1->4)-(3xi)-6-deoxy-2,3-di-O-methyl-alpha-L-arabino-hexopyranosyl-(1->2)-6-deoxy-3-O-methyl-alpha-L-mannopyranoside | C26H48O14

Propyl 3,6-di-O-methyl-β-D-glucopyranosyl-(1->4)-(3ξ)-6-deoxy-2,3-di-O-methyl-α-L-arabino-hexopyranosyl-(1->2)-6-deoxy-3-O-methyl-α-L-mannopyranoside

  • Molecular FormulaC26H48O14
  • Average mass584.651 Da
  • Monoisotopic mass584.304382 Da
  • ChemSpider ID113633

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

3,6-Di-O-méthyl-β-D-glucopyranosyl-(1->4)-(3ξ)-6-désoxy-2,3-di-O-méthyl-α-L-arabino-hexopyranosyl-(1->2)-6-désoxy-3-O-méthyl-α-L-mannopyranoside de propyle [French] [ACD/IUPAC Name]
Propyl 3,6-di-O-methyl-β-D-glucopyranosyl-(1->4)-(3ξ)-6-deoxy-2,3-di-O-methyl-α-L-arabino-hexopyranosyl-(1->2)-6-deoxy-3-O-methyl-α-L-mannopyranoside [ACD/IUPAC Name]
Propyl-3,6-di-O-methyl-β-D-glucopyranosyl-(1->4)-(3ξ)-6-desoxy-2,3-di-O-methyl-α-L-arabino-hexopyranosyl-(1->;2)-6-desoxy-3-O-methyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
α-L-Mannopyranoside, propyl O-3,6-di-O-methyl-β-D-glucopyranosyl-(1->4)-O(3ξ)-6-deoxy-2,3-di-O-methyl-α-L-arabino-hexopyranosyl-(1->2)-6-deoxy-3-O-methyl- [ACD/Index Name]
102717-63-5 [RN]
a-L-Mannopyranoside, propylO-3,6-di-O-methyl-b-D-glucopyranosyl-(1®4)-O-6-deoxy-2,3-di-O-methyl-a-L-mannopyranosyl-(1®2)-6-deoxy-3-O-methyl-
PGRR
PROPYL O-(3,6-DI-O-METHYL-SS-GLUCOPYRANOSYL)-(1-4)-O-(2,3-DI-O-METHYL-A-RHAMNOPYRANOSYL)-(1-2)-3-O-METHYL-A-RHAMNOPYRANOSIDE
propyl O-(3,6-di-O-methyl-β-glucopyranosyl)-(1-4)-O-(2,3-di-O-methyl-α-rhamnopyranosyl)-(1-2)
Propyl O-(3,6-di-O-methyl-β-glucopyranosyl)-(1-4)-O-(2,3-di-O-methyl-α-rhamnopyranosyl)-(1-2)-3-O-methyl-α-rhamnopyranoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 682.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.6±6.0 kJ/mol
Flash Point: 366.8±31.5 °C
Index of Refraction: 1.513
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.49
ACD/KOC (pH 5.5): 160.84
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.49
ACD/KOC (pH 7.4): 160.84
Polar Surface Area: 162 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 465.2±5.0 cm3

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