ChemSpider 2D Image | longiberine | C38H40N2O7

longiberine

  • Molecular FormulaC38H40N2O7
  • Average mass636.733 Da
  • Monoisotopic mass636.283569 Da
  • ChemSpider ID8803216
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,14S)-9,20,21,25-Tetramethoxy-30-methyl-7,23-dioxa-15,30-diazaoctacyclo[22.6.2.23,6.18,12.111,15.114,18.022,33.027,31]heptatriaconta-3,5,8(35),9,11,18(33),19,21,24,26,31,36-dodecaen-19- 
ol [ACD/IUPAC Name]
(1S,14S)-9,20,21,25-Tetramethoxy-30-methyl-7,23-dioxa-15,30-diazaoctacyclo[22.6.2.23,6.18,12.111,15.114,18.022,33.027,31]heptatriaconta-3,5,8(35),9,11,18(33),19,21,24,26,31,36-dodecaen-19- 
ol [German] [ACD/IUPAC Name]
(1S,14S)-9,20,21,25-Tétraméthoxy-30-méthyl-7,23-dioxa-15,30-diazaoctacyclo[22.6.2.23,6.18,12.111,15.114,18.022,33.027,31]heptatriaconta-3,5,8(35),9,11,18(33),19,21,24,26,31,36-dodécaén-19- 
ol [French] [ACD/IUPAC Name]
longiberine

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 177.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 1.95
ACD/KOC (pH 5.5): 11.28
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 183.20
ACD/KOC (pH 7.4): 1062.08
Polar Surface Area: 82 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 461.2±5.0 cm3

Click to predict properties on the Chemicalize site






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