ChemSpider 2D Image | (2Z)-N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(benzoyloxy)-3-(benzoylsulfanyl)-N-formyl-2-penten-2-aminium | C26H27N4O4S

(2Z)-N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(benzoyloxy)-3-(benzoylsulfanyl)-N-formyl-2-penten-2-aminium

  • Molecular FormulaC26H27N4O4S
  • Average mass491.581 Da
  • Monoisotopic mass491.174744 Da
  • ChemSpider ID21259484

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(benzoyloxy)-3-(benzoylsulfanyl)-N-formyl-2-penten-2-aminium [ACD/IUPAC Name]
(2Z)-N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(benzoyloxy)-3-(benzoylsulfanyl)-N-formyl-2-penten-2-aminium [German] [ACD/IUPAC Name]
(2Z)-N-[(4-Amino-2-méthyl-5-pyrimidinyl)méthyl]-5-(benzoyloxy)-3-(benzoylsulfanyl)-N-formyl-2-pentén-2-aminium [French] [ACD/IUPAC Name]
Benzenecarbothioic acid, S-[(1Z)-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl] ester, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 718.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 388.1±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 538.82
ACD/KOC (pH 5.5): 2652.67
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 964.26
ACD/KOC (pH 7.4): 4747.15
Polar Surface Area: 142 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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