ChemSpider 2D Image | (9S,12S)-N-[(8S,11S)-8-[(2S)-2-Butanyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-9-isopropyl-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12 -carboxamide | C37H51N5O7

(9S,12S)-N-[(8S,11S)-8-[(2S)-2-Butanyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-9-isopropyl-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12 -carboxamide

  • Molecular FormulaC37H51N5O7
  • Average mass677.830 Da
  • Monoisotopic mass677.378845 Da
  • ChemSpider ID25057150

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(9s,12s)-9-(1-Methylethyl)-N-[(8s,11s)-8-[(1s)-1-Methylpropyl]-7,10-Dioxo-2-Oxa-6,9-Diazabicyclo[11.2.2]heptadeca-1(15),13,16-Trien-11-Yl]-7,10-Dioxo-2-Oxa-8,11-Diazabicyclo[12.2.2]octadeca-1(16),14,17-Triene-12-Carboxamide
(9S,12S)-N-[(8S,11S)-8-[(2S)-2-Butanyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-9-isopropyl-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-trien-12- carboxamid [German] [ACD/IUPAC Name]
(9S,12S)-N-[(8S,11S)-8-[(2S)-2-Butanyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-9-isopropyl-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12 -carboxamide [ACD/IUPAC Name]
(9S,12S)-N-[(8S,11S)-8-[(2S)-2-Butanyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadéca-1(15),13,16-trién-11-yl]-9-isopropyl-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadéca-1(16),14,17-triène-12 -carboxamide [French] [ACD/IUPAC Name]
2-Oxa-8,11-diazabicyclo[12.2.2]octadeca-14,16,17-triene-12-carboxamide, 9-(1-methylethyl)-N-[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-13,15,16-trien-11-yl]-7 ,10-dioxo-, (9S,12S)- [ACD/Index Name]
DRR

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1032.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.2±3.0 kJ/mol
Flash Point: 578.2±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 185.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.02
ACD/KOC (pH 5.5): 735.48
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.02
ACD/KOC (pH 7.4): 735.41
Polar Surface Area: 164 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 553.4±5.0 cm3

Click to predict properties on the Chemicalize site


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