ChemSpider 2D Image | Bis{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl} dihydrogen diphosphate | C20H26N10O15P2

Bis{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl} dihydrogen diphosphate

  • Molecular FormulaC20H26N10O15P2
  • Average mass708.426 Da
  • Monoisotopic mass708.105408 Da
  • ChemSpider ID167649

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

34692-44-9 [RN]
Bis{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl} dihydrogen diphosphate [ACD/IUPAC Name]
Bis{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}dihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de bis{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle} [French] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid
[[(2{r},3{s},4{r},5{r})-5-(2-Azanyl-6-Oxidanylidene-1{h}-Purin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl] [(2{r},3{s},4{r},5{r})-5-(2-Azanyl-6-Oxidanylidene-1{h}-Purin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl]methyl Hydrogen Phosphate
{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
86S
Diguanosine diphosphate
Guanosine 5'-(trihydrogen diphosphate), 5'-5'-ester with guanosine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.6±0.1 g/cm3
Boiling Point: 1258.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 196.8±3.0 kJ/mol
Flash Point: 714.9±37.1 °C
Index of Refraction: 2.031
Molar Refractivity: 138.7±0.5 cm3
#H bond acceptors: 25
#H bond donors: 12
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.97
ACD/LogD (pH 5.5): -8.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 392 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 180.3±7.0 dyne/cm
Molar Volume: 271.8±7.0 cm3

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