ChemSpider 2D Image | (2R,4R,4aR,7aR)-2-(4-Hydroxy-3,5-dimethoxyphenyl)octahydrocyclopenta[b]pyran-4-yl 6-deoxy-alpha-L-mannopyranoside | C22H32O9

(2R,4R,4aR,7aR)-2-(4-Hydroxy-3,5-dimethoxyphenyl)octahydrocyclopenta[b]pyran-4-yl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC22H32O9
  • Average mass440.484 Da
  • Monoisotopic mass440.204620 Da
  • ChemSpider ID68412494

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,4R,4aR,7aR)-2-(4-Hydroxy-3,5-dimethoxyphenyl)octahydrocyclopenta[b]pyran-4-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(2R,4R,4aR,7aR)-2-(4-Hydroxy-3,5-dimethoxyphenyl)octahydrocyclopenta[b]pyran-4-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de (2R,4R,4aR,7aR)-2-(4-hydroxy-3,5-diméthoxyphényl)octahydrocyclopenta[b]pyran-4-yle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, (2R,4R,4aR,7aR)-octahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopenta[b]pyran-4-yl 6-deoxy- [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: 626.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 332.8±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.85
ACD/KOC (pH 5.5): 138.03
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.83
ACD/KOC (pH 7.4): 137.62
Polar Surface Area: 127 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 319.1±5.0 cm3

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