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

Cyclopentyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]p yrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate

  • Molecular FormulaC38H50N6O9S
  • Average mass766.903 Da
  • Monoisotopic mass766.335999 Da
  • ChemSpider ID76790378

  • 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)-14a-[(Cyclopropylsulfonyl)carbamoyl]-2-[(3-éthyl-7-méthoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadécahydrocyclopropa[e]pyrrolo[1,2-a ][1,4]diazacyclopentadécin-6-yl}carbamate de cyclopentyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(2R,6S,12Z,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyc lopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]-, cyclopentyl ester [ACD/Index Name]
Cyclopentyl {(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-quinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]p yrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate [ACD/IUPAC Name]
Cyclopentyl-{(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-2-[(3-ethyl-7-methoxy-2-chinoxalinyl)oxy]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]p yrrolo[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: 197.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 11.68
ACD/KOC (pH 5.5): 100.79
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 12.86
Polar Surface Area: 204 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 550.2±5.0 cm3

Click to predict properties on the Chemicalize site


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