ChemSpider 2D Image | 5'-O-{Hydroxy[(hydroxy{[(5aR,8R,9aR)-2-imino-4-oxo-7-sulfanyl-6-thioxo-1,3,4,4a,5,5a,6,7,8,9a-decahydro-2H-pyrano[3,2-g]pteridin-8-yl]methoxy}phosphoryl)oxy]phosphoryl}-2,3-dihydroguanosine | C20H26N10O13P2S2

5'-O-{Hydroxy[(hydroxy{[(5aR,8R,9aR)-2-imino-4-oxo-7-sulfanyl-6-thioxo-1,3,4,4a,5,5a,6,7,8,9a-decahydro-2H-pyrano[3,2-g]pteridin-8-yl]methoxy}phosphoryl)oxy]phosphoryl}-2,3-dihydroguanosine

  • Molecular FormulaC20H26N10O13P2S2
  • Average mass740.557 Da
  • Monoisotopic mass740.059753 Da
  • ChemSpider ID61714893

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

2,3-Dihydroguanosine, 5'-O-[[[[[(5aR,8R,9aR)-1,3,4,4a,5,5a,6,7,8,9a-decahydro-2-imino-7-mercapto-4-oxo-6-thioxo-2H-pyrano[3,2-g]pteridin-8-yl]methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
5'-O-[(R)-{[(R)-{[(4aR,5aR,7R,8R,9aR)-2-Amino-4-oxo-7-sulfanyl-6-thioxo-3,4a,5,5a,6,7,8,9a-octahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosin [German] [ACD/IUPAC Name]
5'-O-[(R)-{[(R)-{[(4aR,5aR,7R,8R,9aR)-2-Amino-4-oxo-7-sulfanyl-6-thioxo-3,4a,5,5a,6,7,8,9a-octahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine [ACD/IUPAC Name]
5'-O-[(R)-{[(R)-{[(4aR,5aR,7R,8R,9aR)-2-Amino-4-oxo-7-sulfanyl-6-thioxo-3,4a,5,5a,6,7,8,9a-octahydro-4H-pyrano[3,2-g]ptéridin-8-yl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine [French] [ACD/IUPAC Name]
5'-O-[(S)-{[(R)-{[(4aS,5aR,7R,8R,9aR)-2-Amino-4-oxo-7-sulfanyl-6-thioxo-3,4a,5,5a,6,7,8,9a-octahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosin [German] [ACD/IUPAC Name]
5'-O-[(S)-{[(R)-{[(4aS,5aR,7R,8R,9aR)-2-Amino-4-oxo-7-sulfanyl-6-thioxo-3,4a,5,5a,6,7,8,9a-octahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine [ACD/IUPAC Name]
5'-O-[(S)-{[(R)-{[(4aS,5aR,7R,8R,9aR)-2-Amino-4-oxo-7-sulfanyl-6-thioxo-3,4a,5,5a,6,7,8,9a-octahydro-4H-pyrano[3,2-g]ptéridin-8-yl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine [French] [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{[(5aR,8R,9aR)-2-imino-4-oxo-7-sulfanyl-6-thioxo-1,3,4,4a,5,5a,6,7,8,9a-decahydro-2H-pyrano[3,2-g]pteridin-8-yl]methoxy}phosphoryl)oxy]phosphoryl}-2,3-dihydroguanosin [German] [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{[(5aR,8R,9aR)-2-imino-4-oxo-7-sulfanyl-6-thioxo-1,3,4,4a,5,5a,6,7,8,9a-decahydro-2H-pyrano[3,2-g]pteridin-8-yl]methoxy}phosphoryl)oxy]phosphoryl}-2,3-dihydroguanosine [ACD/IUPAC Name]
5'-O-{Hydroxy[(hydroxy{[(5aR,8R,9aR)-2-imino-4-oxo-7-sulfanyl-6-thioxo-1,3,4,4a,5,5a,6,7,8,9a-décahydro-2H-pyrano[3,2-g]ptéridin-8-yl]méthoxy}phosphoryl)oxy]phosphoryl}-2,3-dihydroguanosine [French] [ACD/IUPAC Name]
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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: 2.069
Molar Refractivity: 150.7±0.5 cm3
#H bond acceptors: 23
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.11
ACD/LogD (pH 5.5): -8.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 424 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 161.0±7.0 dyne/cm
Molar Volume: 288.5±7.0 cm3

Click to predict properties on the Chemicalize site


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