About 2-[10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[10-[1,3,5,6,7,8-hexahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)naphthalen-2-yl]-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,4,6-trihydroxy-3,5-bis(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol
2-[10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[10-[1,3,5,6,7,8-hexahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)naphthalen-2-yl]-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,4,6-trihydroxy-3,5-bis(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol (PubChem CID 159593990) has the molecular formula C176H108O112
and a molecular weight of 4014.69 g/mol. Its IUPAC name is 2-[10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[10-[1,3,5,6,7,8-hexahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)naphthalen-2-yl]-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,4,6-trihydroxy-3,5-bis(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol.
Frequently Asked Questions
What is the IUPAC name of 2-[10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[10-[1,3,5,6,7,8-hexahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)naphthalen-2-yl]-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,4,6-trihydroxy-3,5-bis(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol?
The IUPAC name of 2-[10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[10-[1,3,5,6,7,8-hexahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)naphthalen-2-yl]-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,4,6-trihydroxy-3,5-bis(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol (CID 159593990) is 2-[10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[10-[1,3,5,6,7,8-hexahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)naphthalen-2-yl]-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,4,6-trihydroxy-3,5-bis(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol.
What is the SMILES notation for 2-[10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[10-[1,3,5,6,7,8-hexahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)naphthalen-2-yl]-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,4,6-trihydroxy-3,5-bis(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol?
The canonical SMILES for 2-[10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[10-[1,3,5,6,7,8-hexahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)naphthalen-2-yl]-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,4,6-trihydroxy-3,5-bis(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol is Oc1c(-c2c3c(O)c(O)c(O)c(O)c3c(-c3c(O)c(O)c(O)c4c(O)c(O)c(O)c(O)c34)c3c(O)c(O)c(O)c(O)c23)c(O)c2c(oc3c(O)c4c(O)c(O)c(O)c(O)c4c(O)c32)c1O.Oc1c(O)c(O)c(-c2c(O)c(-c3c(O)c(O)c(O)c(O)c3O)c(O)c(-c3c4c(O)c(O)c(O)c(O)c4c(-c4c(O)c(O)c5oc6c(O)c7c(O)c(O)c(O)c(O)c7c(O)c6c5c4O)c4c(O)c(O)c(O)c(O)c34)c2O)c(O)c1O.Oc1c(O)c(O)c(-c2c(O)c(-c3c4c(O)c(O)c(O)c(O)c4c(-c4c(O)c(O)c5oc6c(O)c7c(O)c(O)c(O)c(O)c7c(O)c6c5c4O)c4c(O)c(O)c(O)c(O)c34)c(O)c3c(O)c(O)c(O)c(O)c23)c(O)c1O.Oc1c(O)c(O)c(-c2c(O)c(O)c(-c3c4c(O)c(O)c(O)c(O)c4c(-c4c(O)c(O)c5oc6c(O)c7c(O)c(O)c(O)c(O)c7c(O)c6c5c4O)c4c(O)c(O)c(O)c(O)c34)c(O)c2O)c(O)c1O.
What is the InChIKey of 2-[10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[10-[1,3,5,6,7,8-hexahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)naphthalen-2-yl]-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,4,6-trihydroxy-3,5-bis(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol?
The InChIKey is MKPDEMMIFPMYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O31.C46H28O29.C42H26O27.C40H24O25/c49-17-7(18(50)10(13-29(61)42(74)45(77)43(75)30(13)62)19(51)9(17)12-27(59)40(72)44(76)41(73)28(12)60)1-3-5(24(56)36(68)34(66)22(3)54)2(6-4(1)23(55)35(67)37(69)25(6)57)8-20(52)16-15-21(53)11-14(31(63)39(71)38(70)26(11)58)33(65)47(15)79-48(16)46(78)32(8)64;47-17-7(12-27(57)41(71)43(73)42(72)28(12)58)8-11(26(56)38(68)37(67)25(8)55)18(48)9(17)1-3-5(23(53)35(65)33(63)21(3)51)2(6-4(1)22(52)34(64)36(66)24(6)54)10-19(49)16-15-20(50)13-14(30(60)40(70)39(69)29(13)59)32(62)45(15)75-46(16)44(74)31(10)61;43-15-7(29(57)40(68)42-14(15)13-16(44)9-12(30(58)41(13)69-42)28(56)36(64)35(63)25(9)53)1-3-5(19(47)33(61)31(59)17(3)45)2(6-4(1)18(46)32(60)34(62)20(6)48)8-21(49)23(51)10(24(52)22(8)50)11-26(54)37(65)39(67)38(66)27(11)55;41-15-9(27(53)38(64)40-14(15)13-16(42)11-12(28(54)39(13)65-40)26(52)37(63)36(62)25(11)51)2-6-3(18(44)30(56)32(58)20(6)46)1(4-7(2)21(47)33(59)31(57)19(4)45)5-8-10(23(49)29(55)17(5)43)24(50)35(61)34(60)22(8)48/h49-78H;47-74H;43-68H;41-64H.
What are the key properties of 2-[10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[10-[1,3,5,6,7,8-hexahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)naphthalen-2-yl]-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,4,6-trihydroxy-3,5-bis(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol?
2-[10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[10-[1,3,5,6,7,8-hexahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)naphthalen-2-yl]-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,4,6-trihydroxy-3,5-bis(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol has a molecular weight of 4014.69 g/mol, XLogP of 18.70, 12 rotatable bonds, 108 hydrogen bond donors, and 112 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[10-[1,3,5,6,7,8-hexahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)naphthalen-2-yl]-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol;2-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,4,6-trihydroxy-3,5-bis(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol is sourced from PubChem (CID 159593990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).