ChemSpider 2D Image | (3E)-5-(4-Chlorophenyl)-3-(isopropylimino)-3,5-dihydro-2-phenazinyl beta-D-glucopyranosiduronic acid | C27H26ClN3O7

(3E)-5-(4-Chlorophenyl)-3-(isopropylimino)-3,5-dihydro-2-phenazinyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC27H26ClN3O7
  • Average mass539.964 Da
  • Monoisotopic mass539.145935 Da
  • ChemSpider ID117804
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(3E)-5-(4-Chlorophenyl)-3-(isopropylimino)-3,5-dihydro-2-phenazinyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3E)-5-(4-Chlorphenyl)-3-(isopropylimino)-3,5-dihydro-2-phenazinyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (3E)-5-(4-chlorophényl)-3-(isopropylimino)-3,5-dihydro-2-phénazinyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (3E)-5-(4-chlorophenyl)-3,5-dihydro-3-[(1-methylethyl)imino]-2-phenazinyl [ACD/Index Name]
3-(SS-D-GLUCOPYRANOSIDURONIC ACID)-10-(4-CHLOROPHENYL)-2,10-DIHYDRO-2-ISOPROPYLIMINOPHENAZINE
3-(β-D-Glucopyranosiduronic acid)-10-(4-chlorophenyl)-2,10-dihydro-2-isopropyliminophenazine
3-(β-D-Glucopyranosiduronic acid)-10-(p-chlorophenyl)-2,10-dihydro-2-isopropyliminophenazine
80832-47-9 [RN]
GCDIP
β-D-Glucopyranosiduronic acid, 5-(4-chlorophenyl)-3,5-dihydro-3-((1-methylethyl)imino)-2-phenazinyl

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 730.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 395.3±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 135.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 2.45
ACD/KOC (pH 5.5): 12.89
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 2.43
ACD/KOC (pH 7.4): 12.76
Polar Surface Area: 144 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 351.2±7.0 cm3

Click to predict properties on the Chemicalize site






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