ChemSpider 2D Image | alpha-N-acetyllysine-N(6),N(6)-dimethyladenosine 5'-phosphomorpholidate | C24H39N8O9P

α-N-acetyllysine-N(6),N(6)-dimethyladenosine 5'-phosphomorpholidate

  • Molecular FormulaC24H39N8O9P
  • Average mass614.588 Da
  • Monoisotopic mass614.257751 Da
  • ChemSpider ID26331866

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2S)-2-Acetamido-6-{[({(2R,3S,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}methoxy)(4-morpholinyl)phosphoryl]amino}hexanoic acid [ACD/IUPAC Name]
(2S)-2-Acetamido-6-{[({(2R,3S,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}methoxy)(4-morpholinyl)phosphoryl]amino}hexansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-acétamido-6-{[({(2R,3S,4R,5R)-5-[6-(diméthylamino)-9H-purin-9-yl]-3,4-dihydroxytétrahydro-2-furanyl}méthoxy)(4-morpholinyl)phosphoryl]amino}hexanoïque [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[[[(5S)-5-(acetylamino)-5-carboxypentyl]amino]-4-morpholinylphosphinyl]-N,N-dimethyl- [ACD/Index Name]
α-N-acetyllysine-N(6),N(6)-dimethyladenosine 5'-phosphomorpholidate
5'-O-{[(5S)-5-acetamido-5-carboxypentylamino](morpholin-4-yl)phosphoryl}-N,N-dimethyladenosine
  • Miscellaneous

    • Chemical Class:

      A phosphorodiamidate ester of <element>N</element>,<element>N</element>-dimethyladenosine in which the NR<smallsub>2</smallsub> groups on phosphorus are morpholino and <element>N</element><smallsup>2< /smallsup>-acetyl-<element>N</element><smallsup>5</smallsup>-<stereo>L</stereo>-lysino. ChEBI CHEBI:60282
      A phosphorodiamidate ester of N,N-dimethyladenosine in which the NR2 groups on phosphorus are morpholino and N(2)-acetyl-N(5)-L-lysino. ChEBI CHEBI:60282

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 145.7±0.5 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.94
ACD/LogD (pH 5.5): -5.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 224 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 70.6±7.0 dyne/cm
Molar Volume: 380.9±7.0 cm3

Click to predict properties on the Chemicalize site


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