ChemSpider 2D Image | (2R,3R,4R)-2-(3,5-Diformyl-2,4,6-trihydroxyphenyl)-5,7-dihydroxy-4-isobutyl-3-isopropyl-6,8-chromanedicarbaldehyde | C26H28O10

(2R,3R,4R)-2-(3,5-Diformyl-2,4,6-trihydroxyphenyl)-5,7-dihydroxy-4-isobutyl-3-isopropyl-6,8-chromanedicarbaldehyde

  • Molecular FormulaC26H28O10
  • Average mass500.495 Da
  • Monoisotopic mass500.168243 Da
  • ChemSpider ID8589074

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,4R)-2-(3,5-Diformyl-2,4,6-trihydroxyphenyl)-5,7-dihydroxy-4-isobutyl-3-isopropyl-6,8-chromandicarbaldehyd [German] [ACD/IUPAC Name]
(2R,3R,4R)-2-(3,5-Diformyl-2,4,6-trihydroxyphenyl)-5,7-dihydroxy-4-isobutyl-3-isopropyl-6,8-chromanedicarbaldehyde [ACD/IUPAC Name]
(2R,3R,4R)-2-(3,5-Diformyl-2,4,6-trihydroxyphényl)-5,7-dihydroxy-4-isobutyl-3-isopropyl-6,8-chromanedicarbaldéhyde [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6,8-dicarboxaldehyde, 2-(3,5-diformyl-2,4,6-trihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-3-(1-methylethyl)-4-(2-methylpropyl)-, (2R,3R,4R)- [ACD/Index Name]
(2R,3R,4R)-2-(3,5-diformyl-2,4,6-trihydroxyphenyl)-5,7-dihydroxy-4-(2-methylpropyl)-3-(propan-2-yl)-3,4-dihydro-2H-chromene-6,8-dicarbaldehyde
222411-74-7 [RN]
CHEMBL453538
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL453538/
sideroxylonal C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 465.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 140.3±22.2 °C
Index of Refraction: 1.679
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 9.25
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 38856.29
ACD/KOC (pH 5.5): 32152.41
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 2.75
ACD/KOC (pH 7.4): 2.28
Polar Surface Area: 179 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 353.4±3.0 cm3

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