ChemSpider 2D Image | 2-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazolidin-2-yl}-2-hydroxypropanoic acid | C15H26N4O10P2S

2-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazolidin-2-yl}-2-hydroxypropanoic acid

  • Molecular FormulaC15H26N4O10P2S
  • Average mass516.400 Da
  • Monoisotopic mass516.084473 Da
  • ChemSpider ID22376156

More details:

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

2-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazolidin-2-yl}-2-hydroxypropanoic acid [ACD/IUPAC Name]
2-{3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazolidin-2-yl}-2-hydroxypropansäure [German] [ACD/IUPAC Name]
2-Thiazolidineacetic acid, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-α-hydroxy-5-[2-[[hydroxy(phosphonooxy)phosphinyl]oxy]ethyl]-α,4-dimethyl- [ACD/Index Name]
Acide 2-{3-[(4-amino-2-méthyl-5-pyrimidinyl)méthyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}éthyl)-4-méthyl-1,3-thiazolidin-2-yl}-2-hydroxypropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 792.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.9±3.0 kJ/mol
Flash Point: 433.2±35.7 °C
Index of Refraction: 1.632
Molar Refractivity: 112.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -7.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 91.0±3.0 dyne/cm
Molar Volume: 315.5±3.0 cm3

Click to predict properties on the Chemicalize site


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