Found 240 results

Search term: MF = 'C_{13}H_{24}N_{2}O_{6}S'
ChemSpider 2D Image | 2-Methoxyethyl (4aS,7aR)-4-(2-methoxyethyl)hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxylate 6,6-dioxide | C13H24N2O6S

2-Methoxyethyl (4aS,7aR)-4-(2-methoxyethyl)hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxylate 6,6-dioxide

  • Molecular FormulaC13H24N2O6S
  • Average mass336.405 Da
  • Monoisotopic mass336.135498 Da
  • ChemSpider ID29552512

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,7aR) 6,6-Dioxyde de 4-(2-méthoxyéthyl)hexahydrothiéno[3,4-b]pyrazine-1(2H)-carboxylate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]
2-Methoxyethyl (4aS,7aR)-4-(2-methoxyethyl)hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxylate 6,6-dioxide [ACD/IUPAC Name]
2-Methoxyethyl-(4aS,7aR)-4-(2-methoxyethyl)hexahydrothieno[3,4-b]pyrazin-1(2H)-carboxylat-6,6-dioxid [German] [ACD/IUPAC Name]
Thieno[3,4-b]pyrazine-1(2H)-carboxylic acid, hexahydro-4-(2-methoxyethyl)-, 2-methoxyethyl ester, 6,6-dioxide, (4aS,7aR)- [ACD/Index Name]
2-methoxyethyl (4aS*,7aR*)-4-(2-methoxyethyl)hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxylate 6,6-dioxide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 496.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 253.8±28.7 °C
Index of Refraction: 1.512
Molar Refractivity: 80.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.58
Polar Surface Area: 94 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 266.8±3.0 cm3

Click to predict properties on the Chemicalize site


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