ChemSpider 2D Image | 2-Amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl](8-~3~H)-3,9-dihydro-6H-purin-6-one | C11H14TN5O3

2-Amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl](8-3H)-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC11H14TN5O3
  • Average mass267.277 Da
  • Monoisotopic mass267.125702 Da
  • ChemSpider ID115284870

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-Amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl](8-3H)-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl](8-3H)-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[(1R,2R,3S)-2,3-bis(hydroxyméthyl)cyclobutyl](8-3H)-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one-8-t, 2-amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-3,9-dihydro- [ACD/Index Name]
138921-14-9 [RN]
2-amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-8-tritio-1H-purin-6-one

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

A 69992 [DBID]

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

Density:
Boiling Point: 651.8±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 348.0±29.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.41
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.54
Polar Surface Area: 126 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement