ChemSpider 2D Image | Latrunculol A | C22H33NO7S

Latrunculol A

  • Molecular FormulaC22H33NO7S
  • Average mass455.565 Da
  • Monoisotopic mass455.197784 Da
  • ChemSpider ID24703975

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4R)-4-[(1R,4Z,8S,9S,10Z,12S,15R,17R)-8,9,17-Trihydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,10-dien-17-yl]-1,3-thiazolidin-2-on [German] [ACD/IUPAC Name]
(4R)-4-[(1R,4Z,8S,9S,10Z,12S,15R,17R)-8,9,17-Trihydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,10-dien-17-yl]-1,3-thiazolidin-2-one [ACD/IUPAC Name]
(4R)-4-[(1R,4Z,8S,9S,10Z,12S,15R,17R)-8,9,17-Trihydroxy-5,12-diméthyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadéca-4,10-dién-17-yl]-1,3-thiazolidin-2-one [French] [ACD/IUPAC Name]
2-Thiazolidinone, 4-[(1R,4Z,8S,9S,10Z,12S,15R,17R)-8,9,17-trihydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,10-dien-17-yl]-, (4R)- [ACD/Index Name]
Latrunculol A
(4R)-4-[(1R,4S,5Z,7S,8S,11Z,15R,17R)-7,8,17-trihydroxy-4,11-dimethyl-13-oxo-14,18-dioxabicyclo[13.3.1]nonadeca-5,11-dien-17-yl]-1,3-thiazolidin-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL487774/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.552
Molar Refractivity: 116.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.67
ACD/KOC (pH 5.5): 88.20
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.66
ACD/KOC (pH 7.4): 88.19
Polar Surface Area: 151 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 365.0±3.0 cm3

Click to predict properties on the Chemicalize site


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