ChemSpider 2D Image | 16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1~4,30~.1~10,14~.1~15,19~.0~3,8~.0~25,33~.0~28,32~]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodecaene-13,26-diol | C36H36N2O6

16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodecaene-13,26-diol

  • Molecular FormulaC36H36N2O6
  • Average mass592.681 Da
  • Monoisotopic mass592.257324 Da
  • ChemSpider ID160442

More details:

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

16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodecaen-13,26-diol [German] [ACD/IUPAC Name]
16,27-Dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodecaene-13,26-diol [ACD/IUPAC Name]
16,27-Diméthoxy-7,22-diméthyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodécaène-13,26-diol [French] [ACD/IUPAC Name]
105705-86-0 [RN]
16,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25(33),26,28(32)-dodecaene-13,26-diol
2H,16H-22,26-EPOXY-1,24-ETHENO-6,10:11,15-DIMETHENOPYRIDO[2',3':17,18]OXACYCLOEICOSINO[2,3,4-IJ]ISOQUINOLINE-9,20-DIOL,3,4,4A,5,16A,17,18,19-OCTAHYDRO-12,21-DIMETHOXY-4,17-DIMETHYL-, (4AS,16AR)-(9CI)
Yanangin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 398.0±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 166.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 47.90
ACD/KOC (pH 5.5): 141.59
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4250.78
ACD/KOC (pH 7.4): 12564.13
Polar Surface Area: 84 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 455.9±3.0 cm3

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