ChemSpider 2D Image | (2S,3R)-3-[4-(Benzyloxy)-3-methoxyphenyl]-3-hydroxy-2-(2-methoxyphenoxy)propyl beta-D-xylopyranoside | C29H34O10

(2S,3R)-3-[4-(Benzyloxy)-3-methoxyphenyl]-3-hydroxy-2-(2-methoxyphenoxy)propyl β-D-xylopyranoside

  • Molecular FormulaC29H34O10
  • Average mass542.574 Da
  • Monoisotopic mass542.215210 Da
  • ChemSpider ID8825516

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,3R)-3-[4-(Benzyloxy)-3-methoxyphenyl]-3-hydroxy-2-(2-methoxyphenoxy)propyl β-D-xylopyranoside [ACD/IUPAC Name]
(2S,3R)-3-[4-(Benzyloxy)-3-methoxyphenyl]-3-hydroxy-2-(2-methoxyphenoxy)propyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside de (2S,3R)-3-[4-(benzyloxy)-3-méthoxyphényl]-3-hydroxy-2-(2-méthoxyphénoxy)propyle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (2S,3R)-3-hydroxy-2-(2-methoxyphenoxy)-3-[3-methoxy-4-(phenylmethoxy)phenyl]propyl [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: 777.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 423.8±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.63
ACD/KOC (pH 5.5): 384.08
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.63
ACD/KOC (pH 7.4): 384.08
Polar Surface Area: 136 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 397.1±5.0 cm3

Click to predict properties on the Chemicalize site


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