ChemSpider 2D Image | (2R,3R,4S,5R,6R)-2-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4R,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3-yl acetate (non-preferred nam e) | C21H30O14

(2R,3R,4S,5R,6R)-2-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4R,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3-yl acetate (non-preferred nam e)

  • Molecular FormulaC21H30O14
  • Average mass506.454 Da
  • Monoisotopic mass506.163544 Da
  • ChemSpider ID10145689

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R,3R,4S,5R,6R)-2-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4R,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3-yl acetate (non-preferred nam e) [ACD/IUPAC Name]
(2R,3R,4S,5R,6R)-2-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4R,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-3-yl-acetat (non-preferred name ) [German] [ACD/IUPAC Name]
Acétate de (2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphényl)éthoxy]-5-hydroxy-6-(hydroxyméthyl)-4-{[(2R,3R,4R,5R,6S)-3,4,5,6-tétrahydroxytétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyran-3-yle (non-preferred name) [French] [ACD/IUPAC Name]
Cistanoside H

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

Density: 1.6±0.1 g/cm3
Boiling Point: 768.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 262.6±26.4 °C
Index of Refraction: 1.653
Molar Refractivity: 113.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.70
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.62
Polar Surface Area: 225 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 95.4±5.0 dyne/cm
Molar Volume: 308.7±5.0 cm3

Click to predict properties on the Chemicalize site


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