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Search term: ZWUKRGPVMMTMAF-UHFFFAOYSA-K (Found by InChIKey (full match))

ChemSpider 2D Image | 4-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-4-hydroxybutanoatato(2-) | C16H21N4O10P2S

4-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-4-hydroxybutanoatato(2-)

  • Molecular FormulaC16H21N4O10P2S
  • Average mass523.373 Da
  • Monoisotopic mass523.046997 Da
  • ChemSpider ID21232737
  • Charge - Charge


More details:






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

4-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-4-hydroxybutanoat [German] [ACD/IUPAC Name]
4-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-4-hydroxybutanoatato(2-) [ACD/IUPAC Name]
4-{3-[(4-Amino-2-méthyl-5-pyrimidinyl)méthyl]-4-méthyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}éthyl)-1,3-thiazol-3-ium-2-yl}-4-hydroxybutanoate [French] [ACD/IUPAC Name]
Thiazoliumato(3-), 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(3-carboxy-1-hydroxypropyl)-5-[2-[[hydroxy(phosphonooxy)phosphinyl]oxy]ethyl]-4-methyl-, inner salt, ion(3-) [ACD/Index Name]

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

Density:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 286 Å2
Polarizability:
Surface Tension:
Molar Volume:

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