ChemSpider 2D Image | (5S,8S,10R)-N-[1-(Allylamino)-1,2-dioxo-3-hexanyl]-5-cyclohexyl-12-methoxy-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.1~7,10~]docosa-1(21),17,19-triene-8-carboxamide | C35H50N4O8

(5S,8S,10R)-N-[1-(Allylamino)-1,2-dioxo-3-hexanyl]-5-cyclohexyl-12-methoxy-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triene-8-carboxamide

  • Molecular FormulaC35H50N4O8
  • Average mass654.794 Da
  • Monoisotopic mass654.362854 Da
  • ChemSpider ID8297901

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(5S,8S,10R)-N-[1-(Allylamino)-1,2-dioxo-3-hexanyl]-5-cyclohexyl-12-methoxy-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.17,10]docosa-1(21),17,19-trien-8-carboxamid [German] [ACD/IUPAC Name]
(5S,8S,10R)-N-[1-(Allylamino)-1,2-dioxo-3-hexanyl]-5-cyclohexyl-12-methoxy-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triene-8-carboxamide [ACD/IUPAC Name]
(5S,8S,10R)-N-[1-(Allylamino)-1,2-dioxo-3-hexanyl]-5-cyclohexyl-12-méthoxy-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triène-8-carboxamide [French] [ACD/IUPAC Name]
11,16-Dioxa-4,7-diazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triene-8-carboxamide, 5-cyclohexyl-N-[1-[1,2-dioxo-2-(2-propen-1-ylamino)ethyl]butyl]-12-methoxy-3,6-dioxo-, (5S,8S,10R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.570
Molar Refractivity: 175.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.69
ACD/KOC (pH 5.5): 422.28
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.69
ACD/KOC (pH 7.4): 422.26
Polar Surface Area: 152 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 533.8±5.0 cm3

Click to predict properties on the Chemicalize site


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