ChemSpider 2D Image | (1R,1'R,12S,13R,13'S,14E,14'E,17'R,19S,19'S,21S,21'S)-14,14'-Diethylidene-10,17'-bi(8,16-diazahexacyclo[11.5.2.1~1,8~.0~2,7~.0~12,21~.0~16,19~]henicosane)-2,2',4,4',6,6',10,11'-octaene-9,9'-dione | C42H42N4O2

(1R,1'R,12S,13R,13'S,14E,14'E,17'R,19S,19'S,21S,21'S)-14,14'-Diethylidene-10,17'-bi(8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]henicosane)-2,2',4,4',6,6',10,11'-octaene-9,9'-dione

  • Molecular FormulaC42H42N4O2
  • Average mass634.808 Da
  • Monoisotopic mass634.330750 Da
  • ChemSpider ID4581936

  • 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

(1R,1'R,12S,13R,13'S,14E,14'E,17'R,19S,19'S,21S,21'S)-14,14'-Diethyliden-10,17'-bi(8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]henicosan)-2,2',4,4',6,6',10,11'-octaen-9,9'-dion [German] [ACD/IUPAC Name]
(1R,1'R,12S,13R,13'S,14E,14'E,17'R,19S,19'S,21S,21'S)-14,14'-Diethylidene-10,17'-bi(8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]henicosane)-2,2',4,4',6,6',10,11'-octaene-9,9'-dione [ACD/IUPAC Name]
(1R,1'R,12S,13R,13'S,14E,14'E,17'R,19S,19'S,21S,21'S)-14,14'-Diéthylidène-10,17'-bi(8,16-diazahexacyclo[11.5.2.11,8.02,7.012,21.016,19]hénicosane)-2,2',4,4',6,6',10,11'-octaène-9,9'-dione [French] [ACD/IUPAC Name]
12H-1,12-Ethano-9H-pyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-9-one, 14-ethylidene-10-[(2R,3aR,11bS,12S,13aS,14E)-14-ethylidene-2,3,10,11b,13,13a-hexahydro-9-oxo-12H-1,12-ethano-9H-pyrido[1,2,3-lm]pyrrolo [2,3-d]carbazol-2-yl]-2,3,11a,11b,13,13a-hexahydro-, (3aR,11aS,11bS,12R,13aS,14E)- [ACD/Index Name]
(1R,13S,14E,17R,19S,21S)-14-ethylidene-17-[(1R,12S,13R,14E,19S,21S)-14-ethylidene-9-oxo-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,10-tetraen-10-yl]-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
(3aR,11aS,11bS,12R,13aS,14E)-14-ethylidene-10-[(2R,3aR,11bS,12S,13aS,14E)-14-ethylidene-9-oxo-2,3,10,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-2-yl]-2,3,11a,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-9-one
12H-1,12-ethano-9H-pyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-9-one, 14-ethylidene-10-[(2R,3aR,11bS,12S,13aS,14E)-14-ethylidene-2,3,10,11b,13,13a-hexahydro-9-oxo-12H-1,12-ethano-9H-pyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-2-yl]-2,3,11a,11b,13,13a-hexahydro-, (3aR,11aS,11bS,12R,13aS,14E)-
isosungucine

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

NSC715083 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.769
Molar Refractivity: 184.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 63.13
ACD/KOC (pH 7.4): 309.67
Polar Surface Area: 47 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 443.9±5.0 cm3

Click to predict properties on the Chemicalize site


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