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

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

  • Molecular FormulaC20H26N10O13P2S2
  • Average mass740.557 Da
  • Monoisotopic mass740.059753 Da
  • ChemSpider ID394047

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

5'-O-[(R)-{[(R)-{[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-disulfanyl-1,5a,8,9a-tetrahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-7,8-dihydroguanosin [German] [ACD/IUPAC Name]
5'-O-[(R)-{[(R)-{[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-disulfanyl-1,5a,8,9a-tetrahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-7,8-dihydroguanosine [ACD/IUPAC Name]
5'-O-[(R)-{[(R)-{[(5aR,8R,9aR)-2-Amino-4-oxo-6,7-disulfanyl-1,5a,8,9a-tétrahydro-4H-pyrano[3,2-g]ptéridin-8-yl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-7,8-dihydroguanosine [French] [ACD/IUPAC Name]
7,8-Dihydroguanosine, 5'-O-[(R)-[[(R)-[[(5aR,8R,9aR)-2-amino-1,5a,8,9a-tetrahydro-6,7-dimercapto-4-oxo-4H-pyrano[3,2-g]pteridin-8-yl]methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
MGd
PGD

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

Density: 2.6±0.1 g/cm3
Boiling Point: 1035.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.4±6.0 kJ/mol
Flash Point: 580.1±37.1 °C
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: -3.34
ACD/LogD (pH 5.5): -7.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 433 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 161.0±7.0 dyne/cm
Molar Volume: 288.5±7.0 cm3

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