ChemSpider 2D Image | 2-Methyl-2-propanyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-14a-{[cyclopropyl(dihydroxy)-lambda~4~-sulfanyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16
,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | C36H48ClN5O9S

2-Methyl-2-propanyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-14a-{[cyclopropyl(dihydroxy)-λ4-sulfanyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16 ,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate

  • Molecular FormulaC36H48ClN5O9S
  • Average mass762.312 Da
  • Monoisotopic mass761.286133 Da
  • ChemSpider ID35035230
  • 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-Chloro-4-méthoxy-1-isoquinoléinyl)oxy]-14a-{[cyclopropyl(dihydroxy)-λ4-sulfanyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadécahydroc yclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadécin-6-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-14a-{[cyclopropyl(dihydroxy)-λ4-sulfanyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16 ,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-chlor-4-methoxy-1-isochinolinyl)oxy]-14a-{[cyclopropyl(dihydroxy)-λ4-sulfanyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16, 16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamat [German] [ACD/IUPAC Name]
Sulfur, [[[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-5,16-dioxocyclopropa[e]pyr rolo[1,2-a][1,4]diazacyclopentadecin-14a(5H)-yl]carbonyl]amino]cyclopropyldihydroxy- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 191.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 189 Å2
Polarizability: 76.0±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 514.4±7.0 cm3

Click to predict properties on the Chemicalize site






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