ChemSpider 2D Image | (2S,3R,4S,5S)-4-{[{[{[(2S,3R,4S,5S)-3,4-Dihydroxy-5-(2-imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)tetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,5,6-trihydroxytetrah ydro-2H-pyran-2-carboxylic acid (non-preferred name) | C16H23N5O17P2

(2S,3R,4S,5S)-4-{[{[{[(2S,3R,4S,5S)-3,4-Dihydroxy-5-(2-imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)tetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,5,6-trihydroxytetrah ydro-2H-pyran-2-carboxylic acid (non-preferred name)

  • Molecular FormulaC16H23N5O17P2
  • Average mass619.325 Da
  • Monoisotopic mass619.056396 Da
  • ChemSpider ID68027324

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(2S,3R,4S,5S)-4-{[{[{[(2S,3R,4S,5S)-3,4-Dihydroxy-5-(2-imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)tetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,5,6-trihydroxytetrah ydro-2H-pyran-2-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3R,4S,5S)-4-{[{[{[(2S,3R,4S,5S)-3,4-Dihydroxy-5-(2-imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)tetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,5,6-trihydroxytetrah ydro-2H-pyran-2-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2S,3R,4S,5S)-4-{[{[{[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2-imino-6-oxo-1,2,3,6-tétrahydro-9H-purin-9-yl)tétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,5,6-trihydroxy tétrahydro-2H-pyrane-2-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]
GDP mannuronic acid

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: 1.916
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.43
ACD/LogD (pH 5.5): -9.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 362 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 172.5±7.0 dyne/cm
Molar Volume: 237.8±7.0 cm3

Click to predict properties on the Chemicalize site


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