Found 15 results

Search term: MF = 'C_{34}H_{41}NO_{6}S'
ChemSpider 2D Image | (5R,9S)-2-({[(2R,6R)-4-(1-Benzothiophen-2-ylcarbonyl)-6-methyl-2-morpholinyl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.0~2,11~.0~4,8~]tridec-12-ene-1-carboxylic acid | C34H41NO6S

(5R,9S)-2-({[(2R,6R)-4-(1-Benzothiophen-2-ylcarbonyl)-6-methyl-2-morpholinyl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid

  • Molecular FormulaC34H41NO6S
  • Average mass591.757 Da
  • Monoisotopic mass591.265442 Da
  • ChemSpider ID8070460

  • defined stereocentres - 4 of 9 defined stereocentres

More details:

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

(5R,9S)-2-({[(2R,6R)-4-(1-Benzothiophen-2-ylcarbonyl)-6-methyl-2-morpholinyl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-en-1-carbonsäure [German] [ACD/IUPAC Name]
(5R,9S)-2-({[(2R,6R)-4-(1-Benzothiophen-2-ylcarbonyl)-6-methyl-2-morpholinyl]oxy}methyl)-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid [ACD/IUPAC Name]
1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 8a-[[[(2R,6R)-4-(benzo[b]thien-2-ylcarbonyl)-6-methyl-2-morpholinyl]oxy]methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-, (4S,7R )- [ACD/Index Name]
Acide (5R,9S)-2-({[(2R,6R)-4-(1-benzothiophén-2-ylcarbonyl)-6-méthyl-2-morpholinyl]oxy}méthyl)-9-formyl-13-isopropyl-5-méthyltétracyclo[7.4.0.02,11.04,8]tridéc-12-ène-1-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 398.2±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 338.02
ACD/KOC (pH 5.5): 759.57
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 7.05
ACD/KOC (pH 7.4): 15.84
Polar Surface Area: 121 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 447.0±5.0 cm3

Click to predict properties on the Chemicalize site


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