ChemSpider 2D Image | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE | C20H24N10O13P2S2

2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE

  • Molecular FormulaC20H24N10O13P2S2
  • Average mass738.541 Da
  • Monoisotopic mass738.044067 Da
  • ChemSpider ID3571797

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
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]guanosin [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]guanosine [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]guanosine [French] [ACD/IUPAC Name]
Guanosine, 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]
MD1
MGd
PGD
PHOSPHORIC ACID 4-(2-AMINO-4-OXO-3,4,5,6,-TETRAHYDRO-PTERIDIN-6-YL)-2-HYDROXY-3,4-DIMERCAPTO-BUT-3-EN-YL ESTER GUANYLATE ESTER

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

Density: 2.6±0.1 g/cm3
Boiling Point: 1112.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.4±3.0 kJ/mol
Flash Point: 626.7±37.1 °C
Index of Refraction: 2.069
Molar Refractivity: 150.7±0.5 cm3
#H bond acceptors: 23
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -6.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 436 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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