ChemSpider 2D Image | Leinamycin | C22H26N2O6S3

Leinamycin

  • Molecular FormulaC22H26N2O6S3
  • Average mass510.647 Da
  • Monoisotopic mass510.095306 Da
  • ChemSpider ID65321410

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 812.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 445.4±37.1 °C
Index of Refraction: 1.693
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.31
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.25
Polar Surface Area: 210 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 66.4±7.0 dyne/cm
Molar Volume: 342.9±7.0 cm3

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