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Search term: IWLROWZYZPNOFC-UHFFFAOYSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-[[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]oxy]ethyl]-4-methyl-, inner salt, ion(3-) | C12H16N4O10P3S

Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-[[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]oxy]ethyl]-4-methyl-, inner salt, ion(3-)

  • Molecular FormulaC12H16N4O10P3S
  • Average mass501.264 Da
  • Monoisotopic mass500.981628 Da
  • ChemSpider ID13082025

  • Charge - Charge

More details:

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

Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-[[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]oxy]ethyl]-4-methyl-, inner salt, ion(3-) [ACD/Index Name]
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[oxido({[oxido(phosphonatooxy)phosphoryl]oxy})phosphoryl]oxy}ethyl)-1,3-thiazol-3-ium
Thiamin triphosphate
thiamin triphosphate trianion
thiamin triphosphate(3-)
Thiamine triphosphate
thiamine triphosphate trianion
thiamine triphosphate(3-)
thiamine(1+) triphosphate(4-)
TTP(3-)
  • Miscellaneous

    • Chemical Class:

      Trianion of thiamine(1+) diphosphate arising from deprotonation of the four OH groups of the triphosphate. ChEBI CHEBI:58938

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 10
#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: 284 Å2
Polarizability:
Surface Tension:
Molar Volume:

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