ChemSpider 2D Image | 5,19,20-Trimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.2~13,16~.1~3,7~.1~18,22~.0~11,36~.0~26,33~]hexatriaconta-1(30),3(36),4,6,13,15,18(33),19,21,28,31,34-dodecaen-4-ol | C37H40N2O6

5,19,20-Trimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13,15,18(33),19,21,28,31,34-dodecaen-4-ol

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID284962

More details:






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

5,19,20-Trimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13,15,18(33),19,21,28,31,34-dodecaen-4-ol [ACD/IUPAC Name]
5,19,20-Trimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13,15,18(33),19,21,28,31,34-dodecaen-4-ol [German] [ACD/IUPAC Name]
5,19,20-Triméthoxy-10,25-diméthyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13,15,18(33),19,21,28,31,34-dodécaén-4-ol [French] [ACD/IUPAC Name]
8,11:20,23-Dietheno-1H,12H-[1,10]dioxacyclooctadecino[13,12,11-ij:4,3,2-i'j']diisoquinolin-6-ol, 2,3,12a,13,14,15,24,24a-octahydro-5,17,18-trimethoxy-1,13-dimethyl- [ACD/Index Name]
59043-23-1 [RN]
SCIADENINE

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

NSC276413 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 690.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 371.2±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 173.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.91
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 740.60
ACD/KOC (pH 7.4): 2680.30
Polar Surface Area: 73 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 505.6±3.0 cm3

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