Found 23 results

Search term: MF = 'C_{21}H_{24}N_{2}O_{9}S_{2}'
ChemSpider 2D Image | 1-Amino-1-(ethylsulfonyl)-4-[(4-methoxybenzyl)sulfanyl]-3-oxobutyl 4-nitrophenyl carbonate | C21H24N2O9S2

1-Amino-1-(ethylsulfonyl)-4-[(4-methoxybenzyl)sulfanyl]-3-oxobutyl 4-nitrophenyl carbonate

  • Molecular FormulaC21H24N2O9S2
  • Average mass512.553 Da
  • Monoisotopic mass512.092346 Da
  • ChemSpider ID66738528

More details:

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

1-Amino-1-(ethylsulfonyl)-4-[(4-methoxybenzyl)sulfanyl]-3-oxobutyl 4-nitrophenyl carbonate [ACD/IUPAC Name]
1-Amino-1-(ethylsulfonyl)-4-[(4-methoxybenzyl)sulfanyl]-3-oxobutyl-4-nitrophenylcarbonat [German] [ACD/IUPAC Name]
Carbonate de 1-amino-1-(éthylsulfonyl)-4-[(4-méthoxybenzyl)sulfanyl]-3-oxobutyle et de 4-nitrophényle [French] [ACD/IUPAC Name]
Carbonic acid, 1-amino-1-(ethylsulfonyl)-4-[[(4-methoxyphenyl)methyl]thio]-3-oxobutyl 4-nitrophenyl ester [ACD/Index Name]
S-(p-methoxybenzyl)thioglycolyl-amino-ethylsulfonylethyl p-nitrophenyl carbonate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 722.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.8±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 125.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 221.23
ACD/KOC (pH 5.5): 1659.77
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.23
ACD/KOC (pH 7.4): 1659.78
Polar Surface Area: 201 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 364.9±3.0 cm3

Click to predict properties on the Chemicalize site


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