ChemSpider 2D Image | (11S)-4-Hydroxy-19,30,36-trimethoxy-10,10,25-trimethyl-2,17-dioxa-10,25-diazoniaheptacyclo[22.6.2.2~13,16~.1~3,7~.1~18,22~.0~6,11~.0~28,32~]hexatriaconta-1(30),3(36),4,6,13,15,18(33),19,21,24,28,31,34 -tridecaene | C38H42N2O6

(11S)-4-Hydroxy-19,30,36-trimethoxy-10,10,25-trimethyl-2,17-dioxa-10,25-diazoniaheptacyclo[22.6.2.213,16.13,7.118,22.06,11.028,32]hexatriaconta-1(30),3(36),4,6,13,15,18(33),19,21,24,28,31,34 -tridecaene

  • Molecular FormulaC38H42N2O6
  • Average mass622.749 Da
  • Monoisotopic mass622.303162 Da
  • ChemSpider ID9642552

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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(11S)-4-Hydroxy-19,30,36-trimethoxy-10,10,25-trimethyl-2,17-dioxa-10,25-diazoniaheptacyclo[22.6.2.213,16.13,7.118,22.06,11.028,32]hexatriaconta-1(30),3(36),4,6,13,15,18(33),19,21,24,28,31,34 -tridecaen [German] [ACD/IUPAC Name]
(11S)-4-Hydroxy-19,30,36-trimethoxy-10,10,25-trimethyl-2,17-dioxa-10,25-diazoniaheptacyclo[22.6.2.213,16.13,7.118,22.06,11.028,32]hexatriaconta-1(30),3(36),4,6,13,15,18(33),19,21,24,28,31,34 -tridecaene [ACD/IUPAC Name]
(11S)-4-Hydroxy-19,30,36-triméthoxy-10,10,25-triméthyl-2,17-dioxa-10,25-diazoniaheptacyclo[22.6.2.213,16.13,7.118,22.06,11.028,32]hexatriaconta-1(30),3(36),4,6,13,15,18(33),19,21,24,28,31,34 -tridécaène [French] [ACD/IUPAC Name]
(+)-Coccuorbiculatine A

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: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 69 Å2
Polarizability:
Surface Tension:
Molar Volume:

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