ChemSpider 2D Image | 5,21-Dimethoxy-10,10,26-trimethyl-2,18-dioxa-10,26-diazoniaheptacyclo[27.2.2.1~3,7~.1~13,17~.1~19,23~.0~11,36~.0~27,34~]hexatriaconta-1(31),3(36),4,6,13(35),14,16,19(34),20,22,29,32-dodecaene-4,16-dio late | C37H40N2O6

5,21-Dimethoxy-10,10,26-trimethyl-2,18-dioxa-10,26-diazoniaheptacyclo[27.2.2.13,7.113,17.119,23.011,36.027,34]hexatriaconta-1(31),3(36),4,6,13(35),14,16,19(34),20,22,29,32-dodecaene-4,16-dio late

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID8070762

More details:

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

13H-21,24-Etheno-8,12-metheno-1H-[1,10]dioxacyclononadecino[13,12,11-ij:4,3,2-i'j']diisoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,19-dihydroxy-5,18-dimethoxy-1,14,14-trimethyl-, bis(inner salt) [ACD/Index Name]
5,21-Dimethoxy-10,10,26-trimethyl-2,18-dioxa-10,26-diazoniaheptacyclo[27.2.2.13,7.113,17.119,23.011,36.027,34]hexatriaconta-1(31),3(36),4,6,13(35),14,16,19(34),20,22,29,32-dodecaen-4,16-diol at [German] [ACD/IUPAC Name]
5,21-Dimethoxy-10,10,26-trimethyl-2,18-dioxa-10,26-diazoniaheptacyclo[27.2.2.13,7.113,17.119,23.011,36.027,34]hexatriaconta-1(31),3(36),4,6,13(35),14,16,19(34),20,22,29,32-dodecaene-4,16-dio late [ACD/IUPAC Name]
5,21-Diméthoxy-10,10,26-triméthyl-2,18-dioxa-10,26-diazoniaheptacyclo[27.2.2.13,7.113,17.119,23.011,36.027,34]hexatriaconta-1(31),3(36),4,6,13(35),14,16,19(34),20,22,29,32-dodécaène-4,16-dio late [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.10
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.18
Polar Surface Area: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

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