ChemSpider 2D Image | caracurine V | C38H40N4O2

caracurine V

  • Molecular FormulaC38H40N4O2
  • Average mass584.750 Da
  • Monoisotopic mass584.315125 Da
  • ChemSpider ID10207549

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,9R,16S,18R,19R,20S,21R,29R,36S,38R,39R,40S)-10,30-Dioxa-8,15,28,35-tetraazatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetrate traconta-2,4,6,12,22,24,26,32-octaen [German] [ACD/IUPAC Name]
(1R,9R,16S,18R,19R,20S,21R,29R,36S,38R,39R,40S)-10,30-Dioxa-8,15,28,35-tetraazatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetrate traconta-2,4,6,12,22,24,26,32-octaene [ACD/IUPAC Name]
(1R,9R,16S,18R,19R,20S,21R,29R,36S,38R,39R,40S)-10,30-Dioxa-8,15,28,35-tétraazatridécacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tétraté traconta-2,4,6,12,22,24,26,32-octaène [French] [ACD/IUPAC Name]
(1R,9R,16S,18R,19R,20S,21R,29R,36S,38R,39R,40S)-10,30-Dioxa-8,15,28,35-tetraazatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaene
(1R,9R,16S,18R,19R,21R,29R,36S,38R,39R)-10,30-dioxa-8,15,28,35-tetraazatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaene (non-preferred name)
630-87-5 [RN]
caracurine V

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.794
Molar Refractivity: 167.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 31 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 79.6±5.0 dyne/cm
Molar Volume: 394.2±5.0 cm3

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