ChemSpider 2D Image | 5'-Deoxy-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5'-(sulfamoylamino)adenosine | C19H23N7O5S

5'-Deoxy-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5'-(sulfamoylamino)adenosine

  • Molecular FormulaC19H23N7O5S
  • Average mass461.495 Da
  • Monoisotopic mass461.148132 Da
  • ChemSpider ID76775468

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-Deoxy-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5'-(sulfamoylamino)adenosine [ACD/IUPAC Name]
5'-Desoxy-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5'-(sulfamoylamino)adenosin [German] [ACD/IUPAC Name]
5'-Désoxy-N-[(1R)-2,3-dihydro-1H-indén-1-yl]-5'-(sulfamoylamino)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-[(aminosulfonyl)amino]-5'-deoxy-N-[(1R)-2,3-dihydro-1H-inden-1-yl]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 817.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 448.2±37.1 °C
Index of Refraction: 1.856
Molar Refractivity: 111.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 42.54
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 42.70
Polar Surface Area: 186 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 90.8±7.0 dyne/cm
Molar Volume: 248.1±7.0 cm3

Click to predict properties on the Chemicalize site


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