ChemSpider 2D Image | (1S,17S)-23,24,28-Trimethoxy-18,33-dimethyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.2~3,6~.1~8,15~.1~17,21~.0~9,13~.0~25,36~.0~30,34~]nonatriaconta-3,5,8,13,15(37),21(36),22,24,27,29,34,38-dod ecaene | C38H40N2O7

(1S,17S)-23,24,28-Trimethoxy-18,33-dimethyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.23,6.18,15.117,21.09,13.025,36.030,34]nonatriaconta-3,5,8,13,15(37),21(36),22,24,27,29,34,38-dod ecaene

  • Molecular FormulaC38H40N2O7
  • Average mass636.733 Da
  • Monoisotopic mass636.283569 Da
  • ChemSpider ID8162142

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,17S)-23,24,28-Trimethoxy-18,33-dimethyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.23,6.18,15.117,21.09,13.025,36.030,34]nonatriaconta-3,5,8,13,15(37),21(36),22,24,27,29,34,38-dod ecaen [German] [ACD/IUPAC Name]
(1S,17S)-23,24,28-Trimethoxy-18,33-dimethyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.23,6.18,15.117,21.09,13.025,36.030,34]nonatriaconta-3,5,8,13,15(37),21(36),22,24,27,29,34,38-dod ecaene [ACD/IUPAC Name]
(1S,17S)-23,24,28-Triméthoxy-18,33-diméthyl-7,10,12,26-tétraoxa-18,33-diazaoctacyclo[25.6.2.23,6.18,15.117,21.09,13.025,36.030,34]nonatriaconta-3,5,8,13,15(37),21(36),22,24,27,29,34,38-dod écaène [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.601
Molar Refractivity: 177.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.26
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 468.47
ACD/KOC (pH 7.4): 1889.72
Polar Surface Area: 71 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 518.3±3.0 cm3

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