ChemSpider 2D Image | iso-caracurine V | C38H40N4O2

iso-caracurine V

  • Molecular FormulaC38H40N4O2
  • Average mass584.750 Da
  • Monoisotopic mass584.315125 Da
  • ChemSpider ID558790

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2E)-2-[(1R,9R,16S,18R,19R,20S,21R,29Z,31S,37S,41S)-10-Oxa-8,15,28,34-tetraazadodecacyclo[29.5.2.215,21.11,8.02,7.09,19.013,18.016,21.020,28.022,27.030,41.034,37]hentetraconta-2,4, 6,12,22,24,26,29-octaen-32-yliden]ethanol [German] [ACD/IUPAC Name]
(2E)-2-[(1R,9R,16S,18R,19R,20S,21R,29Z,31S,37S,41S)-10-Oxa-8,15,28,34-tetraazadodecacyclo[29.5.2.215,21.11,8.02,7.09,19.013,18.016,21.020,28.022,27.030,41.034,37]hentetraconta-2,4, 6,12,22,24,26,29-octaen-32-ylidene]ethanol [ACD/IUPAC Name]
(2E)-2-[(1R,9R,16S,18R,19R,20S,21R,29Z,31S,37S,41S)-10-Oxa-8,15,28,34-tétraazadodécacyclo[29.5.2.215,21.11,8.02,7.09,19.013,18.016,21.020,28.022,27.030,41.034,37]héntétraconta-2,4, 6,12,22,24,26,29-octaén-32-ylidène]éthanol [French] [ACD/IUPAC Name]
(2E)-2-[(1R,9R,16S,18R,19R,20S,21R,29Z,31S,37S,41S)-10-Oxa-8,15,28,34-tetraazadodecacyclo[29.5.2.215,21.11,8.02,7.09,19.013,18.016,21.020,28.022,27.030,41.034,37]hentetraconta-2,4,6,12,22,24,26,29-octaen-32-ylidene]ethanol
Ethanol, 2-[(3aR,9Z,9bS,10S,11aS,14aR,19aR,23aR,23bR,23cS,24aS)-2,3,11,11a,13,14,21,23a,23b,23c,24,24a-dodecahydro-10,12-ethano-1,23-methano-9bH,10H,19aH-indolo[1',2',3':1,10]oxepino[2',3',4':6,7]pyrr olo[2',3':9,10][1,5]benzodiazocino[5,4,3-lm]pyrrolo[2,3-d]carbazol-27-ylidene]-, (2E)- [ACD/Index Name]
ethanol, 2-[(3aR,9Z,9bS,10S,11aS,14aR,19aR,23aR,23bR,23cS,24aS)-2,3,11,11a,13,14,21,23a,23b,23c,24,24a-dodecahydro-10,12-ethano-1,23-methano-9bH,10H,19aH-indolo[1',2',3':1,10]oxepino[2',3',4':6,7]pyrrolo[2',3':9,10][1,5]benzodiazocino[5,4,3-lm]pyrrolo[2,3-d]carbazol-27-ylidene]-, (2E)-
iso-caracurine V
ethanol, 2-[(3aR,9Z,9bS,10S,11aS,14aR,19aR,23aR,23bR,23cS,24aS)-2,3,11,11a,13,14,21,23a,23b,23c,24,24a-dodecahydro-10,12-ethano-1,23-methano-9bH,10H,19aH-indolo[1',2',3':1,10]oxepino[2',3',4':6,7]pyrr
rel-(2E)-2-[(3aR,9Z,9bS,10S,11aS,14aR,19aR,23aR,23bR,23cS,24aS)-2,3,11,11a,13,14,21,23a,23b,23c,24,24a-dodecahydro-9bH,10H,19aH-10,12-ethano-1,23-methanoindolo[1',2',3':1,10]oxepino[2',3',4':6,7]pyrro

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: 1.798
Molar Refractivity: 169.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 3.96
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.98
Polar Surface Area: 42 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 396.2±5.0 cm3

Click to predict properties on the Chemicalize site


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