ChemSpider 2D Image | 11,33-Bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.1~8,14~.0~1,24~.0~2,32~.0~4,23~.0~5,21~.0~7,12~.0~8,20~.0~18,37~.0~30,36~]heptatriaconta-4(23),5(21),14(37),15,17,26(36),27,2 9-octaene-2,7,17,27-tetrol | C40H43N3O6

11,33-Bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.018,37.030,36]heptatriaconta-4(23),5(21),14(37),15,17,26(36),27,2 9-octaene-2,7,17,27-tetrol

  • Molecular FormulaC40H43N3O6
  • Average mass661.786 Da
  • Monoisotopic mass661.315186 Da
  • ChemSpider ID4374

More details:

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

11,33-Bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.018,37.030,36]heptatriaconta-4(23),5(21),14(37),15,17,26(36),27,2 9-octaen-2,7,17,27-tetrol [German] [ACD/IUPAC Name]
11,33-Bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.018,37.030,36]heptatriaconta-4(23),5(21),14(37),15,17,26(36),27,2 9-octaene-2,7,17,27-tetrol [ACD/IUPAC Name]
11,33-Bis(cyclopropylméthyl)-19,25-dioxa-11,22,33-triazaundécacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.018,37.030,36]heptatriaconta-4(23),5(21),14(37),15,17,26(36),27,2 9-octaène-2,7,17,27-tétrol [French] [ACD/IUPAC Name]
4,8:11,15-Dimethano-20H-bisbenzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.834
Molar Refractivity: 178.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 3.65
ACD/KOC (pH 7.4): 31.19
Polar Surface Area: 122 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 106.4±5.0 dyne/cm
Molar Volume: 404.0±5.0 cm3

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