Chemical Property of Papulacandin A
Chemical Property:
- Boiling Point:1038.4°Cat760mmHg
- Flash Point:298.7°C
- PSA:251.36000
- Density:1.32g/cm3
- LogP:4.06550
- XLogP3:5.2
- Hydrogen Bond Donor Count:8
- Hydrogen Bond Acceptor Count:16
- Rotatable Bond Count:24
- Exact Mass:886.43508601
- Heavy Atom Count:63
- Complexity:1590
- Purity/Quality:
-
95% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCCCCC=CC=CC(=O)OCC1C(C(C(C(O1)OC2C(OC3(C(C2OC(=O)C=CC=CCC(C(=CC=CCCC(C)CC)C)O)O)C4=C(CO3)C=C(C=C4O)O)CO)O)O)O
- Isomeric SMILES:CCCCC/C=C/C=C/C(=O)OCC1C(C(C(C(O1)OC2C(OC3(C(C2OC(=O)/C=C/C=C/CC(/C(=C/C=C/CCC(C)CC)/C)O)O)C4=C(CO3)C=C(C=C4O)O)CO)O)O)O