ChemSpider 2D Image | (1S)-1-[(2R,3R,4R,5R,6R)-4,5-Bis[(4-methoxybenzyl)oxy]-3-methyl-6-(2-methyl-2-propen-1-yl)tetrahydro-2H-pyran-2-yl]-1-[(4-methoxybenzyl)oxy]acetone | C37H46O8

(1S)-1-[(2R,3R,4R,5R,6R)-4,5-Bis[(4-methoxybenzyl)oxy]-3-methyl-6-(2-methyl-2-propen-1-yl)tetrahydro-2H-pyran-2-yl]-1-[(4-methoxybenzyl)oxy]acetone

  • Molecular FormulaC37H46O8
  • Average mass618.756 Da
  • Monoisotopic mass618.319275 Da
  • ChemSpider ID9494495

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S)-1-[(2R,3R,4R,5R,6R)-4,5-Bis[(4-methoxybenzyl)oxy]-3-methyl-6-(2-methyl-2-propen-1-yl)tetrahydro-2H-pyran-2-yl]-1-[(4-methoxybenzyl)oxy]aceton [German] [ACD/IUPAC Name]
(1S)-1-[(2R,3R,4R,5R,6R)-4,5-Bis[(4-methoxybenzyl)oxy]-3-methyl-6-(2-methyl-2-propen-1-yl)tetrahydro-2H-pyran-2-yl]-1-[(4-methoxybenzyl)oxy]acetone [ACD/IUPAC Name]
(1S)-1-[(2R,3R,4R,5R,6R)-4,5-Bis[(4-méthoxybenzyl)oxy]-3-méthyl-6-(2-méthyl-2-propén-1-yl)tétrahydro-2H-pyran-2-yl]-1-[(4-méthoxybenzyl)oxy]acétone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 716.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 292.4±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 173.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 99327.03
ACD/KOC (pH 5.5): 131365.02
ACD/LogD (pH 7.4): 6.88
ACD/BCF (pH 7.4): 99327.03
ACD/KOC (pH 7.4): 131365.02
Polar Surface Area: 82 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 534.5±5.0 cm3

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