ChemSpider 2D Image | Bis{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl} hydrogen phosphate | C20H27N4O12P

Bis{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl} hydrogen phosphate

  • Molecular FormulaC20H27N4O12P
  • Average mass546.422 Da
  • Monoisotopic mass546.136292 Da
  • ChemSpider ID2299353

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Bis{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl} hydrogen phosphate [ACD/IUPAC Name]
Bis{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl}hydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de bis{[(2R,3S,5R)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthyle} [French] [ACD/IUPAC Name]
1969-54-6 [RN]
26466-99-9 [RN]
d(Tpt)
dTpdT
Thymidine, thymidylyl-(3'-5')-
Thymidine,thymidylyl-(3'®5')-
Thymidylyl (3',5')-ribothymidine
More...

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

1969-54-6,26466-99-9 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.37
ACD/LogD (pH 5.5): -7.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 344.4±3.0 cm3

Click to predict properties on the Chemicalize site


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