ChemSpider 2D Image | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE | C10H16N5O13P3S

5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE

  • Molecular FormulaC10H16N5O13P3S
  • Average mass539.246 Da
  • Monoisotopic mass538.967834 Da
  • ChemSpider ID26329587
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2-Amino-9-{5-O-[(R)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-α-L-arabinofuranosyl}-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-[(R)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-α-L-arabinofuranosyl}-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{5-O-[(R)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-α-L-arabinofuranosyl}-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE
6H-Purin-6-one, 2-amino-9-[5-O-[(R)-[[(S)-[(dihydroxyphosphinothioyl)oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-α-L-arabinofuranosyl]-1,9-dihydro- [ACD/Index Name]
({[({[(2S,3R,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(sulfanylidene)phosphonous acid
({[({[(2S,3R,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonothioic acid
({[(2S,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonothioic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.950
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.78
ACD/LogD (pH 5.5): -10.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 339 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 193.6±7.0 dyne/cm
Molar Volume: 201.0±7.0 cm3

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