ChemSpider 2D Image | (1R,15S,16R)-9,10,26-Trimethoxy-15,31-dimethyl-7,24,34-trioxa-15,31-diazaoctacyclo[19.10.3.2~3,6~.1~8,12~.1~18,22~.0~16,36~.0~25,33~.0~28,32~]octatriaconta-3,5,8(36),9,11,18(35),19,21,25,27,32,37-dode caene 15-oxide | C38H40N2O7

(1R,15S,16R)-9,10,26-Trimethoxy-15,31-dimethyl-7,24,34-trioxa-15,31-diazaoctacyclo[19.10.3.23,6.18,12.118,22.016,36.025,33.028,32]octatriaconta-3,5,8(36),9,11,18(35),19,21,25,27,32,37-dode caene 15-oxide

  • Molecular FormulaC38H40N2O7
  • Average mass636.733 Da
  • Monoisotopic mass636.283569 Da
  • ChemSpider ID167137

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,15S,16R)-9,10,26-Trimethoxy-15,31-dimethyl-7,24,34-trioxa-15,31-diazaoctacyclo[19.10.3.23,6.18,12.118,22.016,36.025,33.028,32]octatriaconta-3,5,8(36),9,11,18(35),19,21,25,27,32,37-dode caen-15-oxid [German] [ACD/IUPAC Name]
(1R,15S,16R)-9,10,26-Trimethoxy-15,31-dimethyl-7,24,34-trioxa-15,31-diazaoctacyclo[19.10.3.23,6.18,12.118,22.016,36.025,33.028,32]octatriaconta-3,5,8(36),9,11,18(35),19,21,25,27,32,37-dode caene 15-oxide [ACD/IUPAC Name]
15-Oxyde de (1R,15S,16R)-9,10,26-triméthoxy-15,31-diméthyl-7,24,34-trioxa-15,31-diazaoctacyclo[19.10.3.23,6.18,12.118,22.016,36.025,33.028,32]octatriaconta-3,5,8(36),9,11,18(35),19,21,25,2 7,32,37-dodécaène [French] [ACD/IUPAC Name]
(1r,15s,16r)-9,10,26-trimethoxy-15,31-dimethyl-7,24,34-trioxa-15,31-diazaoctacyclo[19.10.3.23,6.18,12.118,22.016,36.025,33.028,32]octatriaconta-3,5,8(36),9,11,18(35),19,21,25,27,32,37-dodecaene 15-oxide(non-preferred name)
152579-37-8 [RN]
Insularine-2-N-oxide

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: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 11.01
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 36.76
ACD/KOC (pH 7.4): 394.67
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

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