ChemSpider 2D Image | 6-(ADENOSINE TETRAPHOSPHATE-METHYL)-7,8-DIHYDROPTERIN | C17H24N10O17P4

6-(ADENOSINE TETRAPHOSPHATE-METHYL)-7,8-DIHYDROPTERIN

  • Molecular FormulaC17H24N10O17P4
  • Average mass764.324 Da
  • Monoisotopic mass764.027161 Da
  • ChemSpider ID26330221

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6-(ADENOSINE TETRAPHOSPHATE-METHYL)-7,8-DIHYDROPTERIN
9-{5-O-[(R)-{[(S)-{[(S)-{[(R)-[(2-Amino-4-oxo-3,4,7,8-tetrahydro-6-pteridinyl)methoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-α-L-arabinofurano syl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{5-O-[(R)-{[(S)-{[(S)-{[(R)-[(2-Amino-4-oxo-3,4,7,8-tetrahydro-6-pteridinyl)methoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-α-L-arabinofurano syl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{5-O-[(R)-{[(S)-{[(S)-{[(R)-[(2-Amino-4-oxo-3,4,7,8-tétrahydro-6-ptéridinyl)méthoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-α-L-arabinofurano syl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[(R)-[[(S)-[[(S)-[[(R)-[(2-amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-α-L-ara binofuranosyl]- [ACD/Index Name]
(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methoxy[({[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl]oxyphosphin
[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methoxy]({[({[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosp
[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methoxy]({[({[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acid
ic acid

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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): -13.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.66
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


Advertisement