ChemSpider 2D Image | S-[(2Z)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)-2-penten-3-yl] (~2~H_5_)benzenecarbothioate | C19H18D5N4O6PS

S-[(2Z)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)-2-penten-3-yl] (2H5)benzenecarbothioate

  • Molecular FormulaC19H18D5N4O6PS
  • Average mass471.479 Da
  • Monoisotopic mass471.138977 Da
  • ChemSpider ID48058927

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2H5)Benzènecarbothioate de S-[(2Z)-2-{[(4-amino-2-méthyl-5-pyrimidinyl)méthyl](formyl)amino}-5-(phosphonooxy)-2-pentén-3-yle] [French] [ACD/IUPAC Name]
Benzene-d5-carbothioic acid, S-[(1Z)-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propen-1-yl] ester [ACD/Index Name]
S-[(2Z)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)-2-penten-3-yl] (2H5)benzenecarbothioate [ACD/IUPAC Name]
S-[(2Z)-2-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-(phosphonooxy)-2-penten-3-yl]-(2H5)benzolcarbothioat [German] [ACD/IUPAC Name]
1331669-97-6 [RN]
S-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] 2,3,4,5,6-pentadeuteriobenzenecarbothioate

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

Density: 1.4±0.1 g/cm3
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: 1.645
Molar Refractivity: 117.1±0.3 cm3
#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: 191 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 323.0±3.0 cm3

Click to predict properties on the Chemicalize site


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