Found 31 results

Search term: MF = 'C_{13}H_{21}NO_{7}S'
ChemSpider 2D Image | (2R,5S)-5-[(1,1-Dioxidotetrahydro-3-thiophenyl)(2-methoxyethyl)carbamoyl]tetrahydro-2-furancarboxylic acid (non-preferred name) | C13H21NO7S

(2R,5S)-5-[(1,1-Dioxidotetrahydro-3-thiophenyl)(2-methoxyethyl)carbamoyl]tetrahydro-2-furancarboxylic acid (non-preferred name)

  • Molecular FormulaC13H21NO7S
  • Average mass335.373 Da
  • Monoisotopic mass335.103882 Da
  • ChemSpider ID57647476

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2R,5S)-5-[(1,1-Dioxidotetrahydro-3-thiophenyl)(2-methoxyethyl)carbamoyl]tetrahydro-2-furancarbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2R,5S)-5-[(1,1-Dioxidotetrahydro-3-thiophenyl)(2-methoxyethyl)carbamoyl]tetrahydro-2-furancarboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2R,5S)-5-[(1,1-dioxydotétrahydro-3-thiophényl)(2-méthoxyéthyl)carbamoyl]tétrahydro-2-furanecarboxylique (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 632.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 102.0±6.0 kJ/mol
Flash Point: 336.2±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 76.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.51
ACD/LogD (pH 5.5): -3.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 237.4±5.0 cm3

Click to predict properties on the Chemicalize site


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