CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid; [HSDB] White solid; [MSDSonline] |
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Color/Form | CRYSTALS FROM ACETONE-HEXANE |
Melting Point | 206-208 °C WITH DECOMP |
Solubility | SOL IN DICHLOROMETHANE, CHLOROFORM, ACETONE, & METHANOL; SPARINGLY SOL IN WATER |
Stability/Shelf Life | UNSTABLE IN CHLOROFORM SOLN & UNDER ACIDIC CONDITIONS. |
Optical Rotation | SPECIFIC OPTICAL ROTATION: -25.6 DEG @ 25 °C/D (IN METHANOL); WEAK ABSORPTIONS BETWEEN 240 & 300 NM DUE IN PART TO THE PI BOND TO PI BOND* TRANSITION OF THE MONOSUBSTITUTED AROMATIC RING |
Other Experimental Properties | THE CYTOCHALASINS GENERALLY CAN BE DESCRIBED AS A PHENYLALANINE OR TRYPTOPHAN MOIETY LINKED TO PERHYDROISOINDOLE MOIETY WHICH IS IN TURN LINKED TO A C16-C18 POLYKETIDE RING SYSTEM CONTAINING A CARBOCYCLIC (CYTOCHALASIN C), A LACTONE (CYTOCHALASIN A), OR A CYCLIC CARBONATE (CYTOCHALASIN E) MOIETY /CYTOCHALASINS/ |
Chemical Classes | Biological Agents -> Mycotoxins |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 Health Hazard GHS08 |
GHS Hazard Statements |
H300:Acute toxicity,oral H310:Acute toxicity,dermal H330:Acute toxicity,inhalation H361:Reproductive toxicity |
Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P284:Wear respiratory protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P302+P350:IF ON SKIN: Gently wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
Molecular Weight | 495.6 g/mol |
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XLogP3 | 3.5 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 2 |
Exact Mass | 495.22570239 g/mol |
Monoisotopic Mass | 495.22570239 g/mol |
Topological Polar Surface Area | 115 Ų |
Heavy Atom Count | 36 |
Formal Charge | 0 |
Complexity | 986 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 9 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 2 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cytochalasin E is a cytochalasan alkaloid. It has a role as a metabolite.