ChemSpider 2D Image | ([(2R,3R,4S)-3-Acetamido-4-hydroxy-2-(2-hydroxyethoxy)-3,4-dihydro-2H-pyran-6-yl]{[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy }methyl)phosphonic acid | C19H30N4O16P2

([(2R,3R,4S)-3-Acetamido-4-hydroxy-2-(2-hydroxyethoxy)-3,4-dihydro-2H-pyran-6-yl]{[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy }methyl)phosphonic acid

  • Molecular FormulaC19H30N4O16P2
  • Average mass632.406 Da
  • Monoisotopic mass632.113220 Da
  • ChemSpider ID9083901

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

([(2R,3R,4S)-3-Acetamido-4-hydroxy-2-(2-hydroxyethoxy)-3,4-dihydro-2H-pyran-6-yl]{[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy }methyl)phosphonic acid [ACD/IUPAC Name]
([(2R,3R,4S)-3-Acetamido-4-hydroxy-2-(2-hydroxyethoxy)-3,4-dihydro-2H-pyran-6-yl]{[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy }methyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide ([(2R,3R,4S)-3-acétamido-4-hydroxy-2-(2-hydroxyéthoxy)-3,4-dihydro-2H-pyran-6-yl]{[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphor yl]oxy}méthyl)phosphonique [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.729
Molar Refractivity: 124.3±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -6.03
ACD/LogD (pH 5.5): -10.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 329 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 105.8±7.0 dyne/cm
Molar Volume: 311.7±7.0 cm3

Click to predict properties on the Chemicalize site


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