ChemSpider 2D Image | 3'-{[(2R)-3-Amino-2-methylpropanoyl]amino}-3'-deoxy-N,N-dimethyladenosine 5'-(dihydrogen phosphate) | C16H26N7O7P

3'-{[(2R)-3-Amino-2-methylpropanoyl]amino}-3'-deoxy-N,N-dimethyladenosine 5'-(dihydrogen phosphate)

  • Molecular FormulaC16H26N7O7P
  • Average mass459.394 Da
  • Monoisotopic mass459.163147 Da
  • ChemSpider ID25038814

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3'-{[(2R)-3-Amino-2-methylpropanoyl]amino}-3'-deoxy-N,N-dimethyladenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
3'-{[(2R)-3-Amino-2-methylpropanoyl]amino}-3'-desoxy-N,N-dimethyladenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
3'-{[(2R)-3-Amino-2-méthylpropanoyl]amino}-3'-désoxy-N,N-diméthyladénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 3'-[[(2R)-3-amino-2-methyl-1-oxopropyl]amino]-3'-deoxy-N,N-dimethyl-, 5'-(dihydrogen phosphate) [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.737
Molar Refractivity: 104.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -5.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 81.9±7.0 dyne/cm
Molar Volume: 258.8±7.0 cm3

Click to predict properties on the Chemicalize site


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