ChemSpider 2D Image | (9'E,13'E,15'Z)-4,11'-Dihydroxy-2',4,9'-trimethyl-4'H,5H,12'H-spiro[1,2-dithiolane-3,6'-[19]thia[3,20]diazabicyclo[15.2.1]icosa[1(20),9,13,15,17]pentaene]-4',5,12'-trione 2-oxide | C22H26N2O6S3

(9'E,13'E,15'Z)-4,11'-Dihydroxy-2',4,9'-trimethyl-4'H,5H,12'H-spiro[1,2-dithiolane-3,6'-[19]thia[3,20]diazabicyclo[15.2.1]icosa[1(20),9,13,15,17]pentaene]-4',5,12'-trione 2-oxide

  • Molecular FormulaC22H26N2O6S3
  • Average mass510.647 Da
  • Monoisotopic mass510.095306 Da
  • ChemSpider ID24603459
  • Double-bond stereo - Double-bond stereo


More details:






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

(9'E,13'E,15'Z)-4,11'-Dihydroxy-2',4,9'-trimethyl-4'H,5H,12'H-spiro[1,2-dithiolane-3,6'-[19]thia[3,20]diazabicyclo[15.2.1]icosa[1(20),9,13,15,17]pentaene]-4',5,12'-trione 2-oxide [ACD/IUPAC Name]
Spiro[1,2-dithiolane-3,6'-[19]thia[3,20]diazabicyclo[15.2.1]eicosa[1(20),9,13,15,17]pentaene]-4',5,12'-trione, 4,11'-dihydroxy-2',4,9'-trimethyl-, 2-oxide, (9'E,13'E,15'Z)- [ACD/Index Name]
Leinamycin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 130.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.76
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.74
Polar Surface Area: 206 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 343.9±5.0 cm3

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