ChemSpider 2D Image | Retapamulin | C30H47NO4S

Retapamulin

  • Molecular FormulaC30H47NO4S
  • Average mass517.763 Da
  • Monoisotopic mass517.322571 Da
  • ChemSpider ID25064484
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl {[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetate [ACD/IUPAC Name]
(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl-{[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acetat [German] [ACD/IUPAC Name]
{[(3-exo)-8-Méthyl-8-azabicyclo[3.2.1]oct-3-yl]sulfanyl}acétate de (1S,2R,3S,4S,6R,7R,8R,14R)-3-hydroxy-2,4,7,14-tétraméthyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tétradéc-6-yle [French] [ACD/IUPAC Name]
224452-66-8 [RN]
4MG6O8991R
8494
Acetic acid, 2-[[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]thio]-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl es ter [ACD/Index Name]
Altabax [Trade name]
Altargo [Trade name]
Retapamulin [USAN] [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SB-275833 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 594.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 313.6±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 145.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 5.25
ACD/KOC (pH 5.5): 15.04
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 9.22
ACD/KOC (pH 7.4): 26.40
Polar Surface Area: 92 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 443.7±5.0 cm3

Click to predict properties on the Chemicalize site





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