ChemSpider 2D Image | Cyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-2-quinoxalinyl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyc lopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | C38H50N6O9S

Cyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-2-quinoxalinyl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyc lopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate

  • Molecular FormulaC38H50N6O9S
  • Average mass766.903 Da
  • Monoisotopic mass766.335999 Da
  • ChemSpider ID76794119

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-Méthoxy-3-méthyl-2-quinoxalinyl)oxy]-14a-{[(1-méthylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadécahydrocyclopropa[e]py rrolo[1,2-a][1,4]diazacyclopentadécin-6-yl]carbamate de cyclopentyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(2R,6S,12Z,13aS,14aR,16aS)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-2-[(7-methoxy-3-methyl-2-quinoxalinyl)oxy]-14a-[[[(1-methylcyclopropyl)sulfonyl]amino]carbonyl]-5, 16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]-, cyclopentyl ester [ACD/Index Name]
Cyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-2-quinoxalinyl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyc lopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate [ACD/IUPAC Name]
Cyclopentyl-[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-2-chinoxalinyl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyc lopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamat [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 197.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 19.12
ACD/KOC (pH 5.5): 154.04
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 15.81
Polar Surface Area: 204 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 550.0±5.0 cm3

Click to predict properties on the Chemicalize site


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