ChemSpider 2D Image | (2S,3R,4S,5S)-4-{[{[{[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,5,6-trihydroxytetrahydro-2H -pyran-2-carboxylic acid | C16H23N5O17P2

(2S,3R,4S,5S)-4-{[{[{[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,5,6-trihydroxytetrahydro-2H -pyran-2-carboxylic acid

  • Molecular FormulaC16H23N5O17P2
  • Average mass619.325 Da
  • Monoisotopic mass619.056396 Da
  • ChemSpider ID2338417

  • 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-{[{[{[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,5,6-trihydroxytetrahydro-2H -pyran-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,3R,4S,5S)-4-{[{[{[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,5,6-trihydroxytetrahydro-2H -pyran-2-carboxylic acid [ACD/IUPAC Name]
Acide (2S,3R,4S,5S)-4-{[{[{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,5,6-trihydroxytétrahy dro-2H-pyrane-2-carboxylique [French] [ACD/IUPAC Name]
10485-25-3 [RN]
GDP mannuronic acid
Mannopyranuronic acid, 1-5'-ester with guanosine 5'-(trihydrogen diphosphate)

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

Density: 2.6±0.1 g/cm3
Boiling Point: 1130.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 174.5±3.0 kJ/mol
Flash Point: 637.6±37.1 °C
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: -2.87
ACD/LogD (pH 5.5): -9.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 364 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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