ChemSpider 2D Image | (2S,4S)-4-Hydroxy-N-isobutyl-2-isopropyl-4-[(13S)-4-(2-methoxyethoxy)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]bu tanamide | C34H50N4O9S

(2S,4S)-4-Hydroxy-N-isobutyl-2-isopropyl-4-[(13S)-4-(2-methoxyethoxy)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.15,9]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]bu tanamide

  • Molecular FormulaC34H50N4O9S
  • Average mass690.847 Da
  • Monoisotopic mass690.329834 Da
  • ChemSpider ID26377973

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,4S)-4-Hydroxy-N-isobutyl-2-isopropyl-4-[(13S)-4-(2-methoxyethoxy)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.15,9]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]bu tanamid [German] [ACD/IUPAC Name]
(2S,4S)-4-Hydroxy-N-isobutyl-2-isopropyl-4-[(13S)-4-(2-methoxyethoxy)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.15,9]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]bu tanamide [ACD/IUPAC Name]
(2S,4S)-4-Hydroxy-N-isobutyl-2-isopropyl-4-[(13S)-4-(2-méthoxyéthoxy)-18-[méthyl(méthylsulfonyl)amino]-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.15,9]hénicosa-1(20),5(21),6,8,16,18-hexaén-13-yl]bu tanamide [French] [ACD/IUPAC Name]
11-Oxa-3,14-diazatricyclo[14.3.1.15,9]heneicosa-1(20),5,7,9(21),16,18-hexaene-13-butanamide, γ-hydroxy-4-(2-methoxyethoxy)-α-(1-methylethyl)-18-[methyl(methylsulfonyl)amino]-N-(2-methylpropy l)-2,15-dioxo-, (αS,γS,13S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 181.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -0.12
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.49
ACD/KOC (pH 5.5): 160.94
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.49
ACD/KOC (pH 7.4): 160.94
Polar Surface Area: 181 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 543.4±5.0 cm3

Click to predict properties on the Chemicalize site


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