ChemSpider 2D Image | (5R)-5-[(2R)-2-Hydroxynonyl]-beta-D-xylulofuranosyl alpha-D-glucopyranoside | C20H38O11

(5R)-5-[(2R)-2-Hydroxynonyl]-β-D-xylulofuranosyl α-D-glucopyranoside

  • Molecular FormulaC20H38O11
  • Average mass454.509 Da
  • Monoisotopic mass454.241425 Da
  • ChemSpider ID16744211

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5R)-5-[(2R)-2-Hydroxynonyl]-β-D-xylulofuranosyl α-D-glucopyranoside [ACD/IUPAC Name]
(5R)-5-[(2R)-2-Hydroxynonyl]-β-D-xylulofuranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside de (5R)-5-[(2R)-2-hydroxynonyl]-β-D-xylulofuranosyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (5R)-5-C-[(2R)-2-hydroxynonyl]-β-D-threo-2-pentulofuranosyl [ACD/Index Name]
(R)-RETRO-THIORPHAN
2-[3,4-DIHYDROXY-2-HYDROXYMETHYL-5-(2-HYDROXY-NONYL)-TETRAHYDRO-FURAN-2-YLOXY]-6-HYDROXYMETHYL-TETRA HYDRO-PYRAN-3,4,5-TRIOL

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

RRT [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 701.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.4±6.0 kJ/mol
Flash Point: 378.2±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 107.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.89
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.89
Polar Surface Area: 190 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 322.7±5.0 cm3

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