ChemSpider 2D Image | 5'-O-[(R)-{[(R)-{[(S)-{[(S)-[(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)methoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine | C17H24N10O17P4

5'-O-[(R)-{[(R)-{[(S)-{[(S)-[(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)methoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine

  • Molecular FormulaC17H24N10O17P4
  • Average mass764.324 Da
  • Monoisotopic mass764.027161 Da
  • ChemSpider ID4883317

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[(R)-{[(R)-{[(S)-{[(S)-[(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)methoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(R)-{[(R)-{[(S)-{[(S)-[(2-Amino-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)methoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[(R)-{[(R)-{[(S)-{[(S)-[(2-Amino-4-oxo-1,4,7,8-tétrahydro-6-ptéridinyl)méthoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(R)-[[(R)-[[(S)-[[(S)-[(2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE
6-(ADENOSINE TETRAPHOSPHATE-METHYL)-7,8-DIHYDROPTERIN
6NP
A4P

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

Density: 2.6±0.1 g/cm3
Boiling Point: 1086.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 167.0±3.0 kJ/mol
Flash Point: 610.8±37.1 °C
Index of Refraction: 1.971
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 27
#H bond donors: 12
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -7.75
ACD/LogD (pH 5.5): -13.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 446 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 198.0±7.0 dyne/cm
Molar Volume: 290.6±7.0 cm3

Click to predict properties on the Chemicalize site


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