ChemSpider 2D Image | Panurensine | C37H40N2O6

Panurensine

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID432886

More details:






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

9,21,26-Trimethoxy-15,31-dimethyl-7,24-dioxa-15,31-diazaheptacyclo[23.6.2.23,6.18,12.014,19.018,23.028,32]hexatriaconta-3,5,8(34),9,11,18,20,22,25,27,32,35-dodecaen-22-ol [ACD/IUPAC Name]
9,21,26-Trimethoxy-15,31-dimethyl-7,24-dioxa-15,31-diazaheptacyclo[23.6.2.23,6.18,12.014,19.018,23.028,32]hexatriaconta-3,5,8(34),9,11,18,20,22,25,27,32,35-dodecaen-22-ol [German] [ACD/IUPAC Name]
9,21,26-Triméthoxy-15,31-diméthyl-7,24-dioxa-15,31-diazaheptacyclo[23.6.2.23,6.18,12.014,19.018,23.028,32]hexatriaconta-3,5,8(34),9,11,18,20,22,25,27,32,35-dodécaén-22-ol [French] [ACD/IUPAC Name]
Panurensine

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

NSC626653 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 727.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 393.5±32.9 °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: 3.78
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 201.66
ACD/KOC (pH 7.4): 988.31
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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