ChemSpider 2D Image | Hex-2-ulofuranosyl hexopyranosyl-(1->6)hexopyranoside | C18H32O16

Hex-2-ulofuranosyl hexopyranosyl-(1->6)hexopyranoside

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID190739

More details:






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

247-364-9 [EINECS]
25954-44-3 [RN]
Hex-2-ulofuranosyl hexopyranosyl-(1->6)hexopyranoside [ACD/IUPAC Name]
Hex-2-ulofuranosylhexopyranosyl-(1->6)hexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside, 2-hexulofuranosyl O-hexopyranosyl-(1->6)- [ACD/Index Name]
Hexopyranosyl-(1->6)hexopyranoside d'hex-2-ulofuranosyle [French] [ACD/IUPAC Name]
2-[3,4-dihydroxy-2,5-di(hydroxymethyl)tetrahydro-2-furanyloxy]-6-(3,4,5-trihydroxy-6-hydroxymethyltetrahydro-2H-2-pyranyloxymethyl)tetrahydro-2H-3,4,5-pyrantriol
2-[3,4-dihydroxy-2,5-di(hydroxymethyl)tetrahydro-2-furanyloxy]-6-(3,4,5-trihydroxy-6-hydroxymethyltetrahydro-2H-2-pyranyloxymethyl)tetrahydro-2H-3,4,5-pyrantriol(raffinose)
Gentianose
Gossypose
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC170228 [DBID]
NSC2025 [DBID]
NSC232077 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 884.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.1±6.0 kJ/mol
Flash Point: 488.9±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: -2.50
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

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