ChemSpider 2D Image | [(2R,3S,4R,5R)-5-{[(1E)-3-Amino-2-formyl-3-oxo-1-propen-1-yl]amino}-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydroge n diphosphate | C19H27N7O15P2

[(2R,3S,4R,5R)-5-{[(1E)-3-Amino-2-formyl-3-oxo-1-propen-1-yl]amino}-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydroge n diphosphate

  • Molecular FormulaC19H27N7O15P2
  • Average mass655.403 Da
  • Monoisotopic mass655.104065 Da
  • ChemSpider ID2301305

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-{[(1E)-3-Amino-2-formyl-3-oxo-1-propen-1-yl]amino}-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydroge n diphosphate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-{[(1E)-3-Amino-2-formyl-3-oxo-1-propen-1-yl]amino}-3,4-dihydroxytetrahydro-2-furanyl]methyl-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyldihydrogen diphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-{[(1E)-3-amino-2-formyl-3-oxo-1-propén-1-yl]amino}-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétr ahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
2-Formyl-3-(N-adenosinediphosphoribosyl)-aminoacrylamide
73435-45-7 [RN]
Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 2-formyl-3-(β-D-ribofuranosylamino)-2-propenamide
NADX

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1200.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 186.6±3.0 kJ/mol
Flash Point: 679.9±37.1 °C
Index of Refraction: 1.834
Molar Refractivity: 129.1±0.5 cm3
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -4.48
ACD/LogD (pH 5.5): -9.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 363 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 132.4±7.0 dyne/cm
Molar Volume: 292.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement