ChemSpider 2D Image | 4-[(2R,3R)-7-(Benzoyloxy)-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-1-naphthalenyl]-2-methoxyphenyl benzoate | C34H32O8

4-[(2R,3R)-7-(Benzoyloxy)-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-1-naphthalenyl]-2-methoxyphenyl benzoate

  • Molecular FormulaC34H32O8
  • Average mass568.613 Da
  • Monoisotopic mass568.209717 Da
  • ChemSpider ID28476688

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2,3-Naphthalenedimethanol, 7-(benzoyloxy)-1-[4-(benzoyloxy)-3-methoxyphenyl]-1,2,3,4-tetrahydro-6-methoxy-, (2R,3R)- [ACD/Index Name]
4-[(2R,3R)-7-(Benzoyloxy)-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-1-naphthalenyl]-2-methoxyphenyl benzoate [ACD/IUPAC Name]
4-[(2R,3R)-7-(Benzoyloxy)-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydro-1-naphthalinyl]-2-methoxyphenyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 4-[(2R,3R)-7-(benzoyloxy)-2,3-bis(hydroxyméthyl)-6-méthoxy-1,2,3,4-tétrahydro-1-naphtalényl]-2-méthoxyphényle [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: 783.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 252.5±26.4 °C
Index of Refraction: 1.609
Molar Refractivity: 156.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13596.46
ACD/KOC (pH 5.5): 31644.21
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13596.46
ACD/KOC (pH 7.4): 31644.21
Polar Surface Area: 112 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 452.4±3.0 cm3

Click to predict properties on the Chemicalize site


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