Found 35 results

Search term: C39H38N4O8 (Found by molecular formula)
ChemSpider 2D Image | 1-O-({4'-[(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]-2-biphenylyl}carbonyl)-D-glucopyranuronic acid | C39H38N4O8

1-O-({4'-[(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]-2-biphenylyl}carbonyl)-D-glucopyranuronic acid

  • Molecular FormulaC39H38N4O8
  • Average mass690.741 Da
  • Monoisotopic mass690.268982 Da
  • ChemSpider ID114392568

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-O-({4'-[(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]-2-biphenylyl}carbonyl)-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-({4'-[(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]-2-biphenylyl}carbonyl)-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-({4'-[(1,7'-diméthyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)méthyl]-2-biphénylyl}carbonyl)-D-glucopyranuronique [French] [ACD/IUPAC Name]
D-Glucopyranuronic acid, 1-O-[[4'-[(1,4'-dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl][1,1'-biphenyl]-2-yl]carbonyl]- [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: 984.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.3±3.0 kJ/mol
Flash Point: 549.2±37.1 °C
Index of Refraction: 1.694
Molar Refractivity: 185.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 8.16
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 16.11
ACD/KOC (pH 5.5): 42.93
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 1.80
ACD/KOC (pH 7.4): 4.80
Polar Surface Area: 169 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 484.2±7.0 cm3

Click to predict properties on the Chemicalize site


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