Chemical Property of 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one
Chemical Property:
- Vapor Pressure:0mmHg at 25°C
- Melting Point:197-199 °C
- Boiling Point:1086.9°C at 760 mmHg
- PKA:5.91±0.40(Predicted)
- Flash Point:330°C
- PSA：319.12000
- Density:1.63g/cm3
- LogP:-1.74730
- XLogP3:0.3
- Hydrogen Bond Donor Count:12
- Hydrogen Bond Acceptor Count:19
- Rotatable Bond Count:11
- Exact Mass:822.29462936
- Heavy Atom Count:58
- Complexity:1450
- Purity/Quality:
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Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4CC(C(C(C4O)O)O)CO)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O
- Isomeric SMILES:C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@@H]4C[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O
