ChemSpider 2D Image | (1R,5S,21S,24S)-7-(1-Acetyl-4-piperidinyl)-24-hydroxy-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.0~5,10~.0~12,17~]pentacosa-12,14,16-triene-4,11-dione | C27H38N4O6

(1R,5S,21S,24S)-7-(1-Acetyl-4-piperidinyl)-24-hydroxy-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione

  • Molecular FormulaC27H38N4O6
  • Average mass514.614 Da
  • Monoisotopic mass514.279114 Da
  • ChemSpider ID65259443

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,5S,21S,24S)-7-(1-Acetyl-4-piperidinyl)-24-hydroxy-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-4,11-dion [German] [ACD/IUPAC Name]
(1R,5S,21S,24S)-7-(1-Acetyl-4-piperidinyl)-24-hydroxy-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione [ACD/IUPAC Name]
(1R,5S,21S,24S)-7-(1-Acétyl-4-pipéridinyl)-24-hydroxy-18,25-dioxa-3,7,10-triazatétracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triène-4,11-dione [French] [ACD/IUPAC Name]
14,18-Epoxy-2H,6H-pyrazino[2,1-l][1,10,13]benzoxadiazacyclohexadecine-6,21(12H)-dione, 2-(1-acetyl-4-piperidinyl)-1,3,4,13,14,15,16,17,18,19,20,21a-dodecahydro-17-hydroxy-, (14S,17S,18R,21aS)- [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: 804.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 440.2±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.34
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.53
Polar Surface Area: 112 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 386.2±5.0 cm3

Click to predict properties on the Chemicalize site


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