ChemSpider 2D Image | Umbelliferose | C18H32O16

Umbelliferose

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID4574486

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

Umbelliferose
α-D-Galactopyranoside, β-D-fructofuranosyl O-α-D-galactopyranosyl-(1->2)- [ACD/Index Name]
α-D-Galactopyranosyl-(1->2)-α-D-galactopyranoside de β-D-fructofuranosyle [French] [ACD/IUPAC Name]
β-D-Fructofuranosyl α-D-galactopyranosyl-(1->2)-α-D-galactopyranoside [ACD/IUPAC Name]
β-D-Fructofuranosyl-α-D-galactopyranosyl-(1->2)-α-D-galactopyranosid [German] [ACD/IUPAC Name]
1411190 [Beilstein]
546-60-1 [RN]
α-D-Galp-(1->2)-α-D-Glcp-(1<->;2)-β-D-Fruf

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

CHEBI:9859 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 889.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.8±6.0 kJ/mol
Flash Point: 491.6±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.67
ACD/LogD (pH 5.5): -3.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 120.8±5.0 dyne/cm
Molar Volume: 277.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement