ChemSpider 2D Image | 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 | C20H26N10O13P2S2

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

  • Molecular FormulaC20H26N10O13P2S2
  • Average mass740.557 Da
  • Monoisotopic mass740.059753 Da
  • ChemSpider ID3571913

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

5'-O-[(S)-{[(R)-({(2R,3Z)-4-[(6R)-2-Amino-4-oxo-1,4,5,6-tetrahydro-6-pteridinyl]-2-hydroxy-3,4-disulfanyl-3-buten-1-yl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosin [German] [ACD/IUPAC Name]
5'-O-[(S)-{[(R)-({(2R,3Z)-4-[(6R)-2-Amino-4-oxo-1,4,5,6-tetrahydro-6-pteridinyl]-2-hydroxy-3,4-disulfanyl-3-buten-1-yl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine [ACD/IUPAC Name]
5'-O-[(S)-{[(R)-({(2R,3Z)-4-[(6R)-2-Amino-4-oxo-1,4,5,6-tétrahydro-6-ptéridinyl]-2-hydroxy-3,4-disulfanyl-3-butén-1-yl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine [French] [ACD/IUPAC Name]
Guanosine, 5'-O-[(S)-[[(R)-[[(2R,3Z)-4-[(6R)-2-amino-1,4,5,6-tetrahydro-4-oxo-6-pteridinyl]-2-hydroxy-3,4-dimercapto-3-buten-1-yl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
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
MD1

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1180.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 183.0±3.0 kJ/mol
Flash Point: 667.5±37.1 °C
Index of Refraction: 1.988
Molar Refractivity: 152.7±0.5 cm3
#H bond acceptors: 23
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -5.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 447 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 145.5±7.0 dyne/cm
Molar Volume: 307.9±7.0 cm3

Click to predict properties on the Chemicalize site


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