ChemSpider 2D Image | beta-D-Glucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranose | C24H42O21

β-D-Glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->3)-β-D-glucopyranose

  • Molecular FormulaC24H42O21
  • Average mass666.578 Da
  • Monoisotopic mass666.221863 Da
  • ChemSpider ID23163
  • defined stereocentres - 20 of 20 defined stereocentres


More details:






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

β-D-Glucopyranose, O-β-D-glucopyranosyl-(1->3)-O-[β-D-glucopyranosyl-(1->6)]-O-β-D-glucopyranosyl-(1->3)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->3)-β-D-glucopyranose [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->3)-β-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Glucopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranosyl-(1->3)-β-D-glucopyranose [French] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R,6S)-3,5-DIHYDROXY-2-({[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}METHYL)-6-{[(2R,3R,4S,5R,6R)-2,3,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-4-YL]OXY}OXAN-4-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL
[9050-67-3]
2-[[BIS(2-HYDROXYETHYL)AMINO]METHYL]-1 2-BENZISOTHIAZOL-(2H)-ONE
50782-69-9 [RN]
9050-67-3 [RN]
D012566
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 1059.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 175.6±6.0 kJ/mol
Flash Point: 594.7±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 21
#H bond donors: 14
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -8.43
ACD/LogD (pH 5.5): -8.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 348 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 125.1±5.0 dyne/cm
Molar Volume: 362.8±5.0 cm3

Click to predict properties on the Chemicalize site





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