ChemSpider 2D Image | (2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimid
inyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-puri
n-9-yl)-4-hydroxytetrahydro-3-furanyl]oxy}(h | C63H83N26O38P5S

(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimid inyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-puri n-9-yl)-4-hydroxytetrahydro-3-furanyl]oxy}(h

  • Molecular FormulaC63H83N26O38P5S
  • Average mass1999.418 Da
  • Monoisotopic mass1998.377075 Da
  • ChemSpider ID8527083
  • defined stereocentres - 24 of 25 defined stereocentres


More details:






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

(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimid inyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-puri n-9-yl)-4-hydroxytetrahydro-3-furanyl]oxy}(h [ACD/IUPAC Name]
(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimid inyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-puri n-9-yl)-4-hydroxytetrahydro-3-furanyl]oxy}(h [German] [ACD/IUPAC Name]
Hydrogénophosphate de (2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-({[{[(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-2-({[{[(2R,3S,4R,5R)-5-(4-ami no-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxyméthyl)tétrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}méthyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytétrahydro-3-furanyl]oxy}(hydroxy)phosphoryl]oxy}méth yl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytétra [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.927
Molar Refractivity: 415.2±0.5 cm3
#H bond acceptors: 64
#H bond donors: 26
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: -10.08
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 1007 Å2
Polarizability: 164.6±0.5 10-24cm3
Surface Tension: 140.6±7.0 dyne/cm
Molar Volume: 874.4±7.0 cm3

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