ChemSpider 2D Image | Ethyl [(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-furanyl phosphate | C22H31N4O12P

Ethyl [(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-furanyl phosphate

  • Molecular FormulaC22H31N4O12P
  • Average mass574.475 Da
  • Monoisotopic mass574.167603 Da
  • ChemSpider ID2339073
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

Ethyl [(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-furanyl phosphate [ACD/IUPAC Name]
Ethyl-[(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-furanylphosphat [German] [ACD/IUPAC Name]
Phosphate d'éthyle et 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(2 H)-pyrimidinyl)tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
35002-96-1 [RN]
99761-20-3 [RN]
Dtp(Et)dT
Dtpdt ethylphosphotriester
P-Ethylthymidylyl-(3'-5')-thymidine
Thymidine, P-ethylthymidylyl-(3'-5')-

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.20
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.65
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.63
Polar Surface Area: 212 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 369.7±5.0 cm3

Click to predict properties on the Chemicalize site






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