ChemSpider 2D Image | 5'-d[TC]-3' | C19H26N5O11P


  • Molecular FormulaC19H26N5O11P
  • Average mass531.410 Da
  • Monoisotopic mass531.136658 Da
  • ChemSpider ID147808
  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl (2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-furanyl hydrogen phos phate [ACD/IUPAC Name]
[(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl-(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-furanylhydrogenphosph at [German] [ACD/IUPAC Name]
5178-19-8 [RN]
Hydrogénophosphate de [(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytétrahydro-2-furanyl]méthyle et de (2R,3S,5R)-2-(hydroxyméthyl)-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétra hydro-3-furanyle [French] [ACD/IUPAC Name]
[3']thymidylic acid-(2'-deoxycytidin-5'-yl ester)
  • Miscellaneous
    • Chemical Class:

      A single-strand DNA oligonucleotide consisting of a thymidine residue phospho-linked 3'<arrow>right</arrow>5' to a deoxycytidine residue. ChEBI CHEBI:75157

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.756
Molar Refractivity: 114.0±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.76
ACD/LogD (pH 5.5): -7.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 93.4±7.0 dyne/cm
Molar Volume: 278.2±7.0 cm3

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