Chemical Property of Quartromicin A3
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Chemical Property:
- PKA:4.20±1.00(Predicted)
- Density:1.54±0.1 g/cm3(Predicted)
- XLogP3:0.5
- Hydrogen Bond Donor Count:14
- Hydrogen Bond Acceptor Count:30
- Rotatable Bond Count:10
- Exact Mass:1506.64559183
- Heavy Atom Count:107
- Complexity:3690
- Purity/Quality:
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Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CC1CC23C(C=CC=C(C(C4C(OC5(C4=O)CC(C(=CC5(C=CC(C6C(OC7(C6=O)CC(C(=CC7(C=CC=C(C(C8C(OC9(C8=O)CC(C(=CC9(C=CC(C(C2=O)C(O3)[O-])O)C)CO)C)[O-])O)C)C)COC2C(C(C(C(O2)CO)O)O)O)C)[O-])O)C)CO)C)[O-])O)C)C=C1COC1C(C(C(C(O1)CO)O)O)O
- Isomeric SMILES:CC1CC23C(/C=C/C=C(/C(C4C(OC5(C4=O)CC(C(=CC5(/C=C/C(C6C(OC7(C6=O)CC(C(=CC7(/C=C/C=C(/C(C8C(OC9(C8=O)CC(C(=CC9(/C=C/C(C(C2=O)C(O3)[O-])O)C)CO)C)[O-])O)\C)C)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C)[O-])O)C)CO)C)[O-])O)\C)C=C1CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
