ChemSpider 2D Image | [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridyl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridyl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridyl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate | C60H79N12O37P5

[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridyl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridyl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyridyl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate

  • Molecular FormulaC60H79N12O37P5
  • Average mass1715.196 Da
  • Monoisotopic mass1714.335693 Da
  • ChemSpider ID30785870

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

5'-CCTTTC-3
5'-CpCpTpTpTpC-3'
CpCpTpTpTpC
d(CCTTTC)
d(C-C-T-T-T-C)
  • Miscellaneous

    • Chemical Class:

      A single-stranded DNA oligonucleotide comprised of three deoxycytidine and three thymidine residues connected by 3'<arrow>right</arrow>5' phosphodiester linkages in the sequence C-C-T-T-T-C. ChEBI CHEBI:76372
      A single-stranded DNA oligonucleotide comprised of three deoxycytidine and three thymidine residues connected by 3'->5' phosphodiester linkages in the sequence C-C-T-T-T-C. ChEBI CHEBI:76372
      A single-stranded DNA oligonucleotide comprised of three deoxycytidine and three thymidine residues connected by 3'right5' phosphodiester linkages in the sequence C-C-T-T-T-C. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:76372

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 371.3±0.4 cm3
#H bond acceptors: 49
#H bond donors: 16
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 3
ACD/LogP: -13.06
ACD/LogD (pH 5.5): -21.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -21.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 711 Å2
Polarizability: 147.2±0.5 10-24cm3
Surface Tension: 107.9±5.0 dyne/cm
Molar Volume: 958.7±5.0 cm3

Click to predict properties on the Chemicalize site


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