ChemSpider 2D Image | (1S)-1,5-Anhydro-1-(4-methoxy-2,4-dioxobutyl)-D-glucitol | C11H18O8

(1S)-1,5-Anhydro-1-(4-methoxy-2,4-dioxobutyl)-D-glucitol

  • Molecular FormulaC11H18O8
  • Average mass278.256 Da
  • Monoisotopic mass278.100159 Da
  • ChemSpider ID21167500

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-(4-methoxy-2,4-dioxobutyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(4-methoxy-2,4-dioxobutyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(4-méthoxy-2,4-dioxobutyl)-D-glucitol [French] [ACD/IUPAC Name]
305-292-6 [EINECS]
94405-96-6 [RN]
D-glycero-D-gulo-3-Deculosonic acid, 5,9-anhydro-2,4-dideoxy-, methyl ester [ACD/Index Name]
Methyl 5,9-anhydro-2,4-dideoxy-D-glycero-D-gulo-3-deculosonate
Methyl 5,9-anhydro-2,4-dideoxy-D-glycero-D-gulo-dec-3-ulosonate
Methyl5,9-anhydro-2,4-dideoxy-D-glycero-D-gulo-dec-3-ulosonate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 484.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.4±6.0 kJ/mol
Flash Point: 185.5±22.2 °C
Index of Refraction: 1.536
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.03
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.03
Polar Surface Area: 134 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 194.7±3.0 cm3

Click to predict properties on the Chemicalize site


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