ChemSpider 2D Image | (2R,3S,4R,5R,6R)-4,5-Bis(benzyloxy)-6-[(benzyloxy)methyl]-2-{[(2S,3R,4S,5R,6S)-4,5-bis(benzyloxy)-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3-yl]methyl}tetrahydro-2H-pyran-3-ol (non-preferred nam e) | C49H56O10

(2R,3S,4R,5R,6R)-4,5-Bis(benzyloxy)-6-[(benzyloxy)methyl]-2-{[(2S,3R,4S,5R,6S)-4,5-bis(benzyloxy)-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3-yl]methyl}tetrahydro-2H-pyran-3-ol (non-preferred nam e)

  • Molecular FormulaC49H56O10
  • Average mass804.963 Da
  • Monoisotopic mass804.387329 Da
  • ChemSpider ID9226233

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R,3S,4R,5R,6R)-4,5-Bis(benzyloxy)-6-[(benzyloxy)methyl]-2-{[(2S,3R,4S,5R,6S)-4,5-bis(benzyloxy)-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3-yl]methyl}tetrahydro-2H-pyran-3-ol (non-preferred nam e) [ACD/IUPAC Name]
(2R,3S,4R,5R,6R)-4,5-Bis(benzyloxy)-6-[(benzyloxy)methyl]-2-{[(2S,3R,4S,5R,6S)-4,5-bis(benzyloxy)-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3-yl]methyl}tetrahydro-2H-pyran-3-ol (non-preferred nam e) [German] [ACD/IUPAC Name]
(2R,3S,4R,5R,6R)-4,5-Bis(benzyloxy)-6-[(benzyloxy)méthyl]-2-{[(2S,3R,4S,5R,6S)-4,5-bis(benzyloxy)-2-(hydroxyméthyl)-6-méthoxytétrahydro-2H-pyran-3-yl]méthyl}tétrahydro-2H-pyran-3-ol (non-preferred nam e) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 873.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.0±3.0 kJ/mol
Flash Point: 482.2±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 226.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 9.80
ACD/LogD (pH 5.5): 8.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 722182.38
ACD/LogD (pH 7.4): 8.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 722181.56
Polar Surface Area: 114 Å2
Polarizability: 89.7±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 643.4±5.0 cm3

Click to predict properties on the Chemicalize site


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