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ChemSpider 2D Image | Leinamycin | C22H26N2O6S3

Leinamycin

  • Molecular FormulaC22H26N2O6S3
  • Average mass510.647 Da
  • Monoisotopic mass510.095306 Da
  • ChemSpider ID32816437
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres


More details:





Date of deprecation: 10:12, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(2R,2'R,3S,4S,9'E,11'R,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]
(2'R,3S,4S,9'E,11'R,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]
120500-15-4 [RN]
Leinamycin
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, (2R,2'R,3S,4S,9'E,11'R,13'E,15'Z)- [ACD/Index 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, (2'R,3S,4S,9'E,11'R,13'E,15'Z)- [ACD/Index Name]

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

Click to predict properties on the Chemicalize site






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