ChemSpider 2D Image | (3R)-1,7-Bis(3,4-dihydroxyphenyl)-3-heptanyl beta-D-xylopyranoside | C24H32O9

(3R)-1,7-Bis(3,4-dihydroxyphenyl)-3-heptanyl β-D-xylopyranoside

  • Molecular FormulaC24H32O9
  • Average mass464.505 Da
  • Monoisotopic mass464.204620 Da
  • ChemSpider ID22912855

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R)-1,7-Bis(3,4-dihydroxyphenyl)-3-heptanyl β-D-xylopyranoside [ACD/IUPAC Name]
(3R)-1,7-Bis(3,4-dihydroxyphenyl)-3-heptanyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside de (3R)-1,7-bis(3,4-dihydroxyphényl)-3-heptanyle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (1R)-5-(3,4-dihydroxyphenyl)-1-[2-(3,4-dihydroxyphenyl)ethyl]pentyl [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: 789.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 431.0±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 119.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.71
ACD/KOC (pH 5.5): 494.14
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.23
ACD/KOC (pH 7.4): 488.29
Polar Surface Area: 160 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 321.7±5.0 cm3

Click to predict properties on the Chemicalize site


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