ChemSpider 2D Image | (14S,27S)-22,33-Dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2~16,19~.1~3,10~.1~21,25~.0~4,8~.0~14,39~.0~31,35~]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dod ecaene | C37H38N2O6

(14S,27S)-22,33-Dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dod ecaene

  • Molecular FormulaC37H38N2O6
  • Average mass606.707 Da
  • Monoisotopic mass606.273010 Da
  • ChemSpider ID23328448

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(14S,27S)-22,33-Dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dod ecaen [German] [ACD/IUPAC Name]
(14S,27S)-22,33-Dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dod ecaene [ACD/IUPAC Name]
(14S,27S)-22,33-Diméthoxy-13,28-diméthyl-2,5,7,20-tétraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dod écaène [French] [ACD/IUPAC Name]
(14S,27S)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene (non-preferred name)
cepharantine
CHEMBL500862

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

Density: 1.2±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 170.9±0.0 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 3.79
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1216.30
ACD/KOC (pH 7.4): 3652.58
Polar Surface Area: 62 Å2
Polarizability: 67.8±0.0 10-24cm3
Surface Tension: 45.1±0.0 dyne/cm
Molar Volume: 494.3±0.0 cm3

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