ChemSpider 2D Image | 1',2,3,3',6,6'-HEXA-O-ALLYLSUCROSE | C30H46O11

1',2,3,3',6,6'-HEXA-O-ALLYLSUCROSE

  • Molecular FormulaC30H46O11
  • Average mass582.680 Da
  • Monoisotopic mass582.304016 Da
  • ChemSpider ID32702076

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1',2,3,3',6,6'-HEXA-O-ALLYLSUCROSE
1,3,6-Tri-O-allyl-β-D-fructofuranosyl 2,3,6-tri-O-allyl-α-D-glucopyranoside [ACD/IUPAC Name]
1,3,6-Tri-O-allyl-β-D-fructofuranosyl-2,3,6-tri-O-allyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tri-O-allyl-α-D-glucopyranoside de 1,3,6-tri-O-allyl-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, 1,3,6-tri-O--2-propen-1-yl-β-D-fructofuranosyl 2,3,6-tri-O--2-propen-1-yl- [ACD/Index Name]
ALLYL SUCROSE
UNII-VI3D59RW0U

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

397ZQ21D9X [DBID]
UNII:397ZQ21D9X [DBID]
UNII-397ZQ21D9X [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 642.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 342.0±31.5 °C
Index of Refraction: 1.520
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6773.95
ACD/KOC (pH 5.5): 19218.00
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6773.92
ACD/KOC (pH 7.4): 19217.91
Polar Surface Area: 124 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 507.0±5.0 cm3

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