ChemSpider 2D Image | [(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl hydrogen phosphate (non
-preferred name) | C20H26N7O10P

[(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl hydrogen phosphate (non -preferred name)

  • Molecular FormulaC20H26N7O10P
  • Average mass555.435 Da
  • Monoisotopic mass555.147888 Da
  • ChemSpider ID2338467
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

[(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl hydrogen phosphate (non -preferred name) [ACD/IUPAC Name]
[(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-hydroxytetrahydro-2-furanyl]methyl-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methylhydrogenphosphat (non-pr eferred name) [German] [ACD/IUPAC Name]
Hydrogénophosphate de [(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytétrahydro-2-furanyl]méthyle et de [(2R,3S,5R)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]m éthyle [French] [ACD/IUPAC Name]
23339-47-1 [RN]
23339-47-1,51236-29-4,51539-70-9,81305-44-4
2'-Deoxyadenylyl-(3'-5')-thymidine
51236-29-4 [RN]
51539-70-9 [RN]
81305-44-4 [RN]
Adenosine, thymidylyl-(5'-3')-2'-deoxy-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.824
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.00
ACD/LogD (pH 5.5): -6.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 101.8±7.0 dyne/cm
Molar Volume: 277.8±7.0 cm3

Click to predict properties on the Chemicalize site






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