ChemSpider 2D Image | (3Z)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-3-(2-furoylsulfanyl)-3-penten-1-yl acetoxyacetate | C21H24N4O7S

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

  • Molecular FormulaC21H24N4O7S
  • Average mass476.503 Da
  • Monoisotopic mass476.136566 Da
  • ChemSpider ID28529270

  • 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-(2-furoylsulfanyl)-3-penten-1-yl acetoxyacetate [ACD/IUPAC Name]
(3Z)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-3-(2-furoylsulfanyl)-3-penten-1-yl-acetoxyacetat [German] [ACD/IUPAC Name]
Acetic acid, 2-(acetyloxy)-, (3Z)-4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(2-furanylcarbonyl)thio]-3-penten-1-yl ester [ACD/Index Name]
Acétoxyacétate de (3Z)-4-{[(4-amino-2-méthyl-5-pyrimidinyl)méthyl](formyl)amino}-3-(2-furoylsulfanyl)-3-pentén-1-yle [French] [ACD/IUPAC Name]
[(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl] 2-acetyloxyacetate
[(E)-4-[(4-Amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl]2-acetyloxyacetate
10072-48-7 [RN]
Acefurtiamine [INN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 680.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.4±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.06
ACD/KOC (pH 5.5): 80.35
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.19
ACD/KOC (pH 7.4): 142.43
Polar Surface Area: 180 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 353.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement