ChemSpider 2D Image | (5R,6S)-1-Oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-acetamido-2,3,4-tri-O-acetyl-6-deoxy-beta-D-glucopyranoside | C24H29NO12

(5R,6S)-1-Oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-acetamido-2,3,4-tri-O-acetyl-6-deoxy-β-D-glucopyranoside

  • Molecular FormulaC24H29NO12
  • Average mass523.487 Da
  • Monoisotopic mass523.168945 Da
  • ChemSpider ID76800839

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5R,6S)-1-Oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl 6-acetamido-2,3,4-tri-O-acetyl-6-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
(5R,6S)-1-Oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yl-6-acetamido-2,3,4-tri-O-acetyl-6-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-5,6-dihydro-6-[[2,3,4-tri-O-acetyl-6-(acetylamino)-6-deoxy-β-D-glucopyranosyl]oxy]-, (5R,6S)- [ACD/Index Name]
6-Acétamido-2,3,4-tri-O-acétyl-6-désoxy-β-D-glucopyranoside de (5R,6S)-1-oxo-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-6-yle [French] [ACD/IUPAC 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: 706.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.1±32.9 °C
Index of Refraction: 1.548
Molar Refractivity: 122.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -0.05
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.53
ACD/KOC (pH 5.5): 47.22
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 47.22
Polar Surface Area: 162 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 385.6±5.0 cm3

Click to predict properties on the Chemicalize site


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