Chemical Property of Symphytine
Chemical Property:
- Vapor Pressure:2.59E-12mmHg at 25°C
- Refractive Index:1.5614 (estimate)
- Boiling Point:505°Cat760mmHg
- PKA:12.59±0.29(Predicted)
- Flash Point:259.2°C
- PSA：96.30000
- Density:1.2g/cm3
- LogP:1.12770
- XLogP3:1.3
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:7
- Rotatable Bond Count:9
- Exact Mass:381.21513771
- Heavy Atom Count:27
- Complexity:640
- Purity/Quality:
-
99% *data from raw suppliers
Symphytine *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O
- Isomeric SMILES:C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O
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Description
This pyrrolizidine alkaloid occurs in the roots of Symphytum officinale Linn.
and is difficult to crystallize. The above structure has been proposed on the basis
of chemical degradation and spectroscopic evidence.
