ChemSpider 2D Image | (2R,3S,4R,5R)-2-({[({(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-[(phosphonooxy)methyl]tetrahydro-3-furanyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytet rahydro-3-furanyl (2S)-4-methyl-2-(4-pentenoylamino)pentanoate | C30H43N9O16P2

(2R,3S,4R,5R)-2-({[({(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-[(phosphonooxy)methyl]tetrahydro-3-furanyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytet rahydro-3-furanyl (2S)-4-methyl-2-(4-pentenoylamino)pentanoate

  • Molecular FormulaC30H43N9O16P2
  • Average mass847.661 Da
  • Monoisotopic mass847.230286 Da
  • ChemSpider ID17273362

  • defined stereocentres - 9 of 9 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-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-[(phosphonooxy)methyl]tetrahydro-3-furanyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytet rahydro-3-furanyl (2S)-4-methyl-2-(4-pentenoylamino)pentanoate [ACD/IUPAC Name]
(2R,3S,4R,5R)-2-({[({(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-[(phosphonooxy)methyl]tetrahydro-3-furanyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytet rahydro-3-furanyl-(2S)-4-methyl-2-(4-pentenoylamino)pentanoat [German] [ACD/IUPAC Name]
(2S)-4-Méthyl-2-(4-pentenoylamino)pentanoate de (2R,3S,4R,5R)-2-({[({(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-[(phosphonooxy)méthyl]tétrahydro-3-furanyl}oxy)(hydroxy)phosphoryl]ox y}méthyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytétrahydro-3-furanyle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.739
Molar Refractivity: 185.1±0.5 cm3
#H bond acceptors: 25
#H bond donors: 10
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -8.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 385 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 89.5±7.0 dyne/cm
Molar Volume: 459.6±7.0 cm3

Click to predict properties on the Chemicalize site


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