ChemSpider 2D Image | ERYTHRIN | C20H22O10

ERYTHRIN

  • Molecular FormulaC20H22O10
  • Average mass422.383 Da
  • Monoisotopic mass422.121307 Da
  • ChemSpider ID52085374

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2,3,4-Trihydroxybutyl 4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoate [ACD/IUPAC Name]
(2S,3R)-2,3,4-Trihydroxybutyl-4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoat [German] [ACD/IUPAC Name]
4-[(2,4-Dihydroxy-6-méthylbenzoyl)oxy]-2-hydroxy-6-méthylbenzoate de (2S,3R)-2,3,4-trihydroxybutyle [French] [ACD/IUPAC Name]
480-57-9 [RN]
4TJZ1118I8
Benzoic acid, 4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-, (2S,3R)-2,3,4-trihydroxybutyl ester [ACD/Index Name]
ERYTHRIN
UNII:4TJZ1118I8

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

Density: 1.5±0.1 g/cm3
Boiling Point: 738.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 260.8±26.4 °C
Index of Refraction: 1.656
Molar Refractivity: 103.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 59.55
ACD/KOC (pH 5.5): 638.48
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 6.99
ACD/KOC (pH 7.4): 74.99
Polar Surface Area: 174 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 77.2±3.0 dyne/cm
Molar Volume: 281.4±3.0 cm3

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