ChemSpider 2D Image | DT2 | C20H27N4O12P

DT2

  • Molecular FormulaC20H27N4O12P
  • Average mass546.422 Da
  • Monoisotopic mass546.136292 Da
  • ChemSpider ID395781
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

[(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl (2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-fura nyl hydrogen phosphate [ACD/IUPAC Name]
[(2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl-(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-fura nylhydrogenphosphat [German] [ACD/IUPAC Name]
1969-54-6 [RN]
DT2
Hydrogénophosphate de [(2R,3S,5R)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthyle et de (2R,3S,5R)-2-(hydroxyméthyl)-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)- pyrimidinyl)tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Thymidylyl-(3′→5′)-thymidine
Benzoic acid, 4-(aminomethyl)- (9CI)
d(Tpt)
dithymidine 3',5'-phosphate
dithymidine phosphate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.20
ACD/LogD (pH 5.5): -6.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 328.9±5.0 cm3

Click to predict properties on the Chemicalize site






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