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ScientificNameLabel
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3,4,8,9,10-Pentahydroxydibenzo [b,d]pyran-6-one
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| PHCD compound ID : |
5571
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| Chemical Names : |
3,4,8,9,10-Pentahydroxydibenzo [b,d]pyran-6-one
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| Molecular Formula : |
C13H8O7
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| Molecular Weight : |
276.027003
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More Details :
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| Names & Synonyms: |
3,4,8,9,10-pentahydroxybenzo[c]chromen-6-one , 3,4,8,9,10-pentahydroxy-6-benzo[c][1]benzopyranone , 3,4,8,9,10-pentakis(oxidanyl)benzo[c]chromen-6-one
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| Smiles: |
Oc1cc2c(=O)oc3c(c2c(c1O)O)ccc(c3O)O
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| InChi : |
InChI=1S/C13H8O7/c14-6-2-1-4-8-5(3-7(15)9(16)11(8)18)13(19)20-12(4)10(6)17/h1-3,14-18H
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| InChi Key : |
InChIKey=ZELMDXUEWHBWPN-UHFFFAOYSA-N
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| PubChem ID : |
18504424
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
7
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Ionization potential : |
8.851574
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| Hydrogen bond donor count : |
5
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Electric dipole moment : |
4.888
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| XLogP : |
1.991
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VDW volume : |
217.611259
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| Molecular weight : |
276.027003
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HOMO-LUMO gap : |
7.653000
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