ChemSpider 2D Image | 1-{[{[(2-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-carboxy-1-hydroxypropan-1-ide | C16H24N4O10P2S

1-{[{[(2-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-carboxy-1-hydroxypropan-1-ide

  • Molecular FormulaC16H24N4O10P2S
  • Average mass526.395 Da
  • Monoisotopic mass526.068848 Da
  • ChemSpider ID389661

More details:

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

1-{[{[(2-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-carboxy-1-hydroxypropan-1-id [German] [ACD/IUPAC Name]
1-{[{[(2-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-carboxy-1-hydroxypropan-1-ide [ACD/IUPAC Name]
1-{[{[(2-{3-[(4-Amino-2-méthyl-5-pyrimidinyl)méthyl]-4-méthyl-1,3-thiazol-3-ium-5-yl}éthoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-carboxy-1-hydroxypropan-1-ide [French] [ACD/IUPAC Name]
Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[2-[[[[(3-carboxy-1-hydroxypropoxy)hydroxyphosphinyl]oxy]hydroxyphosphinyl]oxy]ethyl]-4-methyl-, inner salt [ACD/Index Name]
Succinate semialdehyde-thiamin diphosphate anion

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

C05816 [DBID]

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: 14
#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: 263 Å2
Polarizability:
Surface Tension:
Molar Volume:

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