ChemSpider 2D Image | S-[(2E)-2-Penten-3-yl] 2-{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)benzenecarbothioate | C19H23N4O6PS

S-[(2E)-2-Penten-3-yl] 2-{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)benzenecarbothioate

  • Molecular FormulaC19H23N4O6PS
  • Average mass466.448 Da
  • Monoisotopic mass466.107605 Da
  • ChemSpider ID111258891

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(4-Amino-2-méthyl-5-pyrimidinyl)méthyl](formyl)amino}-5-(phosphonooxy)benzènecarbothioate de S-[(2E)-2-pentén-3-yle] [French] [ACD/IUPAC Name]
Benzenecarbothioic acid, 2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-5-(phosphonooxy)-, S-[(1E)-1-ethyl-1-propen-1-yl] ester [ACD/Index Name]
S-[(2E)-2-Penten-3-yl] 2-{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)benzenecarbothioate [ACD/IUPAC Name]
S-[(2E)-2-Penten-3-yl]-2-{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)benzolcarbothioat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 741.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 402.4±35.7 °C
Index of Refraction: 1.660
Molar Refractivity: 118.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -3.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 322.0±3.0 cm3

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