ChemSpider 2D Image | 2-{(2E)-2-[4-(1H-Imidazol-1-yl)benzylidene]hydrazino}adenosine | C20H21N9O4

2-{(2E)-2-[4-(1H-Imidazol-1-yl)benzylidene]hydrazino}adenosine

  • Molecular FormulaC20H21N9O4
  • Average mass451.439 Da
  • Monoisotopic mass451.171661 Da
  • ChemSpider ID128438270

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-{(2E)-2-[4-(1H-Imidazol-1-yl)benzyliden]hydrazino}adenosin [German] [ACD/IUPAC Name]
2-{(2E)-2-[4-(1H-Imidazol-1-yl)benzylidene]hydrazino}adenosine [ACD/IUPAC Name]
2-{(2E)-2-[4-(1H-Imidazol-1-yl)benzylidène]hydrazino}adénosine [French] [ACD/IUPAC Name]
Adenosine, 2-[(2E)-2-[[4-(1H-imidazol-1-yl)phenyl]methylene]hydrazinyl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 874.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.1±3.0 kJ/mol
Flash Point: 482.4±37.1 °C
Index of Refraction: 1.844
Molar Refractivity: 114.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.08
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.66
Polar Surface Area: 182 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 86.6±7.0 dyne/cm
Molar Volume: 256.6±7.0 cm3

Click to predict properties on the Chemicalize site


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