ChemSpider 2D Image | 5-methylaminomethyl-2-thiouridine 5'-monophosphate | C11H18N3O8PS

5-methylaminomethyl-2-thiouridine 5'-monophosphate

  • Molecular FormulaC11H18N3O8PS
  • Average mass383.315 Da
  • Monoisotopic mass383.055206 Da
  • ChemSpider ID19277072

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

36357-42-3 [RN]
4(1H)-Pyrimidinone, 2,3-dihydro-5-[(methylamino)methyl]-1-(5-O-phosphono-β-D-ribofuranosyl)-2-thioxo- [ACD/Index Name]
5-[(Methylamino)methyl]-1-(5-O-phosphono-β-D-ribofuranosyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
5-[(Methylamino)methyl]-1-(5-O-phosphono-β-D-ribofuranosyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone [ACD/IUPAC Name]
5-[(Méthylamino)méthyl]-1-(5-O-phosphono-β-D-ribofuranosyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
5-methylaminomethyl-2-thiouridine 5'-monophosphate
((2R,3S,4R,5R)-3,4-Dihydroxy-5-(5-((methylamino)methyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate
5-[(Methylamino)methyl]-1-(5-O-phosphono-β-D-ribofuranosyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[(methylamino)methyl]-1-(5-O-phosphono-β-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 83.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -4.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 103.0±5.0 dyne/cm
Molar Volume: 220.4±5.0 cm3

Click to predict properties on the Chemicalize site


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