ChemSpider 2D Image | (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid | C12H20O8

(1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-α-D-manno-oct-2-ulopyranosidonic acid

  • Molecular FormulaC12H20O8
  • Average mass292.282 Da
  • Monoisotopic mass292.115814 Da
  • ChemSpider ID25058551

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1E)-1-Propen-1-yl (6S)-3-deoxy-6-[(1R)-2-hydroxy-1-methoxyethyl]-β-L-erythro-hex-2-ulopyranosidonic acid [ACD/IUPAC Name]
(1E)-1-Propen-1-yl-(6S)-3-desoxy-6-[(1R)-2-hydroxy-1-methoxyethyl]-β-L-erythro-hex-2-ulopyranosidonsäure [German] [ACD/IUPAC Name]
(1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-α-D-manno-oct-2-ulopyranosidonic acid
Acide (6S)-3-désoxy-6-[(1R)-2-hydroxy-1-méthoxyéthyl]-β-L-érythro-hex-2-ulopyranosidonique de (1E)-1-propén-1-yle [French] [ACD/IUPAC Name]
α-D-manno-2-Octulopyranosidonic acid, (1E)-1-propen-1-yl 3-deoxy-7-O-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 565.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 215.0±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 66.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 209.9±5.0 cm3

Click to predict properties on the Chemicalize site


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