ChemSpider 2D Image | (3Z)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-3-(benzoylsulfanyl)-3-penten-1-yl phosphate | C19H21N4O6PS

(3Z)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-3-(benzoylsulfanyl)-3-penten-1-yl phosphate

  • Molecular FormulaC19H21N4O6PS
  • Average mass464.433 Da
  • Monoisotopic mass464.093048 Da
  • ChemSpider ID21210398

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-3-(benzoylsulfanyl)-3-penten-1-yl phosphate [ACD/IUPAC Name]
(3Z)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-3-(benzoylsulfanyl)-3-penten-1-ylphosphat [German] [ACD/IUPAC Name]
Benzenecarbothioic acid, S-[(1Z)-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propen-1-yl] ester, ion(2-) [ACD/Index Name]
Phosphate de (3Z)-4-{[(4-amino-2-méthyl-5-pyrimidinyl)méthyl](formyl)amino}-3-(benzoylsulfanyl)-3-pentén-1-yle [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 745.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 404.4±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -2.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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