ChemSpider 2D Image | 4-Thio-utp | C9H15N2O14P3S

4-Thio-utp

  • Molecular FormulaC9H15N2O14P3S
  • Average mass500.207 Da
  • Monoisotopic mass499.945679 Da
  • ChemSpider ID2298510

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-4-thioxo-3,4-dihydro-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-4-thioxo-3,4-dihydro-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-4-thioxo-3,4-dihydro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 3,4-dihydro-1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-4-thioxo- [ACD/Index Name]
4-Thio-utp
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
31556-28-2 [RN]
4-S-Utp

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 90.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.17
ACD/LogD (pH 5.5): -11.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 303 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 136.7±5.0 dyne/cm
Molar Volume: 238.3±5.0 cm3

Click to predict properties on the Chemicalize site


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