8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol

C44H28O29 — CID 163595240

About 8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol

8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol (PubChem CID 163595240) has the molecular formula C44H28O29 and a molecular weight of 1020.68 g/mol. Its IUPAC name is 8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol.

Molecular Properties

• Compound Name: 8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol
• PubChem CID: 163595240
• Molecular Formula: C44H28O29
• Molecular Weight: 1020.68 g/mol
• Exact Mass: 1020.07
• IUPAC Name: 8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol
• SMILES: Oc1c(O)c(O)c(-c2c(O)c(O)c(O)c(O)c2-c2c(O)c(O)c3c(-c4c(O)c(O)c(O)c(O)c4O)c4c(O)c(O)c(O)c(O)c4c(-c4c(O)c(O)c5oc6c(O)c(O)c(O)c(O)c6c5c4O)c3c2O)c(O)c1O
• InChI: InChI=1S/C44H28O29/c45-15-3-1(9-16(46)13-14-28(58)37(67)40(70)42(72)44(14)73-43(13)41(71)27(9)57)5-6(19(49)30(60)29(59)18(5)48)2(10-23(53)33(63)38(68)34(64)24(10)54)4(3)17(47)22(52)11(15)7-8(21(51)32(62)31(61)20(7)50)12-25(55)35(65)39(69)36(66)26(12)56/h45-72H
• InChIKey: GSWNYBCULKJCSS-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 579.58 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 29
• Rotatable Bonds: 4
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1020.68
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol?

The IUPAC name of 8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol (CID 163595240) is 8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol.

What is the SMILES notation for 8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol?

The canonical SMILES for 8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol is Oc1c(O)c(O)c(-c2c(O)c(O)c(O)c(O)c2-c2c(O)c(O)c3c(-c4c(O)c(O)c(O)c(O)c4O)c4c(O)c(O)c(O)c(O)c4c(-c4c(O)c(O)c5oc6c(O)c(O)c(O)c(O)c6c5c4O)c3c2O)c(O)c1O.

What is the InChIKey of 8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol?

The InChIKey is GSWNYBCULKJCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O29/c45-15-3-1(9-16(46)13-14-28(58)37(67)40(70)42(72)44(14)73-43(13)41(71)27(9)57)5-6(19(49)30(60)29(59)18(5)48)2(10-23(53)33(63)38(68)34(64)24(10)54)4(3)17(47)22(52)11(15)7-8(21(51)32(62)31(61)20(7)50)12-25(55)35(65)39(69)36(66)26(12)56/h45-72H.

What are the key properties of 8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol?

8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol has a molecular weight of 1020.68 g/mol, XLogP of 4.32, 4 rotatable bonds, 28 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]dibenzofuran-1,2,3,4,6,7,9-heptol is sourced from PubChem (CID 163595240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).