ChemSpider 2D Image | (1S,17R)-10,22-Dihydroxy-11,26-dimethoxy-16,16,31-trimethyl-8,24-dioxa-31-aza-16-azoniaheptacyclo[23.6.2.1~3,7~.1~9,13~.1~19,23~.0~17,35~.0~28,32~]hexatriaconta-3(36),4,6,9(35),10,12,19(34),20,22,25,2 7,32-dodecaene | C37H41N2O6

(1S,17R)-10,22-Dihydroxy-11,26-dimethoxy-16,16,31-trimethyl-8,24-dioxa-31-aza-16-azoniaheptacyclo[23.6.2.13,7.19,13.119,23.017,35.028,32]hexatriaconta-3(36),4,6,9(35),10,12,19(34),20,22,25,2 7,32-dodecaene

  • Molecular FormulaC37H41N2O6
  • Average mass609.731 Da
  • Monoisotopic mass609.295898 Da
  • ChemSpider ID5145937

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,17R)-10,22-Dihydroxy-11,26-dimethoxy-16,16,31-trimethyl-8,24-dioxa-31-aza-16-azoniaheptacyclo[23.6.2.13,7.19,13.119,23.017,35.028,32]hexatriaconta-3(36),4,6,9(35),10,12,19(34),20,22,25,2
 7,32-dodecaen [German] [ACD/IUPAC Name]
(1S,17R)-10,22-Dihydroxy-11,26-dimethoxy-16,16,31-trimethyl-8,24-dioxa-31-aza-16-azoniaheptacyclo[23.6.2.13,7.19,13.119,23.017,35.028,32]hexatriaconta-3(36),4,6,9(35),10,12,19(34),20,22,25,2
 7,32-dodecaene [ACD/IUPAC Name]
(1S,17R)-10,22-Dihydroxy-11,26-diméthoxy-16,16,31-triméthyl-8,24-dioxa-31-aza-16-azoniaheptacyclo[23.6.2.13,7.19,13.119,23.017,35.028,32]hexatriaconta-3(36),4,6,9(35),10,12,19(34),20,22,25,2
 7,32-dodécaène [French] [ACD/IUPAC Name]
LSM-2031

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

Prestwick0_000561 [DBID]
Prestwick1_000561 [DBID]
SPBio_002561 [DBID]

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: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.20
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.80
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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