ChemSpider 2D Image | (1S,12S)-12-Hydroxy-4,4,4',4',12,14-hexamethyl-4'H,13H-spiro[9,14-diazatetracyclo[5.5.2.0~1,9~.0~3,7~]tetradecane-5,8'-[1,4]dioxepino[2,3-g]indole]-9',13(10'H)-dione 9-oxide | C28H35N3O6

(1S,12S)-12-Hydroxy-4,4,4',4',12,14-hexamethyl-4'H,13H-spiro[9,14-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-5,8'-[1,4]dioxepino[2,3-g]indole]-9',13(10'H)-dione 9-oxide

  • Molecular FormulaC28H35N3O6
  • Average mass509.594 Da
  • Monoisotopic mass509.252594 Da
  • ChemSpider ID8024900

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(1S,12S)-12-Hydroxy-4,4,4',4',12,14-hexamethyl-4'H,13H-spiro[9,14-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-5,8'-[1,4]dioxepino[2,3-g]indole]-9',13(10'H)-dione 9-oxide [ACD/IUPAC Name]

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: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.39
ACD/KOC (pH 5.5): 82.66
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.48
ACD/KOC (pH 7.4): 84.98
Polar Surface Area: 105 Å2
Polarizability:
Surface Tension:
Molar Volume:

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