ChemSpider 2D Image | (8R)-3-(2-Deoxy-L-glycero-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol | C11H16N4O4

(8R)-3-(2-Deoxy-L-glycero-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

  • Molecular FormulaC11H16N4O4
  • Average mass268.269 Da
  • Monoisotopic mass268.117157 Da
  • ChemSpider ID28542285

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8R)-3-(2-Deoxy-L-glycero-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol [ACD/IUPAC Name]
(8R)-3-(2-Desoxy-L-glycero-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol [German] [ACD/IUPAC Name]
(8R)-3-(2-Désoxy-L-glycéro-pentofuranosyl)-3,4,7,8-tétrahydroimidazo[4,5-d][1,3]diazépin-8-ol [French] [ACD/IUPAC Name]
Imidazo[4,5-d][1,3]diazepin-8-ol, 3-(2-deoxy-L-glycero-pentofuranosyl)-3,6,7,8-tetrahydro-, (8R)- [ACD/Index Name]
53910-25-1 [RN]
Pentostatin [Wiki]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 673.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 360.9±34.3 °C
Index of Refraction: 1.793
Molar Refractivity: 62.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.16
ACD/LogD (pH 5.5): -3.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 82.3±7.0 dyne/cm
Molar Volume: 147.5±7.0 cm3

Click to predict properties on the Chemicalize site


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