ChemSpider 2D Image | C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE | C17H28N4O8P2S

C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE

  • Molecular FormulaC17H28N4O8P2S
  • Average mass510.439 Da
  • Monoisotopic mass510.110321 Da
  • ChemSpider ID25058002

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-1-hydroxy-2-methylbutan-1-id [German] [ACD/IUPAC Name]
(2S)-1-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-1-hydroxy-2-methylbutan-1-ide [ACD/IUPAC Name]
(2S)-1-{3-[(4-Amino-2-méthyl-5-pyrimidinyl)méthyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}éthyl)-4-méthyl-1,3-thiazol-3-ium-2-yl}-1-hydroxy-2-méthylbutan-1-ide [French] [ACD/IUPAC Name]
C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE
Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-[(2S)-1-hydroxy-2-methylbutyl]-5-[2-[[hydroxy(phosphonooxy)phosphinyl]oxy]ethyl]-4-methyl-, inner salt [ACD/Index Name]

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: 12
#H bond donors: 6
#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: 237 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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