Found 29 results

Search term: MF = 'C_{30}H_{47}N_{3}O_{6}S'
ChemSpider 2D Image | (2S,3S)-2-Methyl-1,1-dioxidotetrahydro-3-thiophenyl {(2S,3R)-3-hydroxy-4-[(4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}carbamate | C30H47N3O6S

(2S,3S)-2-Methyl-1,1-dioxidotetrahydro-3-thiophenyl {(2S,3R)-3-hydroxy-4-[(4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}carbamate

  • Molecular FormulaC30H47N3O6S
  • Average mass577.776 Da
  • Monoisotopic mass577.318542 Da
  • ChemSpider ID4484618

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2S,3S)-2-Methyl-1,1-dioxidotetrahydro-3-thiophenyl {(2S,3R)-3-hydroxy-4-[(4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(2S,3S)-2-Methyl-1,1-dioxidotetrahydro-3-thiophenyl-{(2S,3R)-3-hydroxy-4-[(4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isochinolinyl]-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-3-Hydroxy-4-[(4aS,8aS)-3-[(2-méthyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinoléinyl]-1-phényl-2-butanyl}carbamate de (2S,3S)-2-méthyl-1,1-dioxydotétrahydro-3-thiophényle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, (2S,3S)-tetrahydro-2-methyl-1,1-dioxido-3-thienyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 808.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 442.5±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 77.94
ACD/KOC (pH 5.5): 549.81
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 266.25
ACD/KOC (pH 7.4): 1878.17
Polar Surface Area: 133 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 466.3±5.0 cm3

Click to predict properties on the Chemicalize site


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