ChemSpider 2D Image | 2-[4-(Methylcarbamoyl)-1H-pyrazol-1-yl]-9-[(2xi)-beta-D-threo-pentofuranosyl]-9H-purin-6-amine | C15H18N8O5

2-[4-(Methylcarbamoyl)-1H-pyrazol-1-yl]-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC15H18N8O5
  • Average mass390.354 Da
  • Monoisotopic mass390.140015 Da
  • ChemSpider ID71116942

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-[4-(Methylcarbamoyl)-1H-pyrazol-1-yl]-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
2-[4-(Methylcarbamoyl)-1H-pyrazol-1-yl]-9-[(2ξ)-β-D-threo-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
2-[4-(Méthylcarbamoyl)-1H-pyrazol-1-yl]-9-[(2ξ)-β-D-thréo-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 2-[4-[(methylamino)carbonyl]-1H-pyrazol-1-yl]-9-[(2ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
2-[4-[(Methylamino)carbonyl]-1H-pyrazol-1-yl]-adenosine
313348-27-5 [RN]
Regadenoson [INN] [USAN] [Wiki]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.896
Molar Refractivity: 91.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.09
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.43
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.43
Polar Surface Area: 186 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 100.8±7.0 dyne/cm
Molar Volume: 196.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement