ChemSpider 2D Image | (2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimi dinyl)-4-hydroxytetrahydro-3-furanyl dihydrogen phosphate | C19H25N7O16P2

(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimi dinyl)-4-hydroxytetrahydro-3-furanyl dihydrogen phosphate

  • Molecular FormulaC19H25N7O16P2
  • Average mass669.387 Da
  • Monoisotopic mass669.083313 Da
  • ChemSpider ID2340914

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimi dinyl)-4-hydroxytetrahydro-3-furanyl dihydrogen phosphate [ACD/IUPAC Name]
(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimi dinyl)-4-hydroxytetrahydro-3-furanyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxyméthyl)tétrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}méthyl)-5-(2,4-dioxo- 3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxytétrahydro-3-furanyle [French] [ACD/IUPAC Name]
2240-05-3 [RN]
3'-Uridylic acid, guanylyl-(3'-5')-
GpUp
Guanylyl(3'-5')uridine 3'-monophosphate

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

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.912
Molar Refractivity: 129.4±0.5 cm3
#H bond acceptors: 23
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.26
ACD/LogD (pH 5.5): -9.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 356 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 154.3±7.0 dyne/cm
Molar Volume: 275.6±7.0 cm3

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