10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol

C20H14O14 — CID 163964140

IUPAC10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol
SMILESOc1c(O)c(O)c(-c2c3c(O)c(O)c(O)c(O)c3c(O)c3c(O)c(O)c(O)c(O)c23)c(O)c1O
InChIInChI=1S/C20H14O14/c21-7-5-2(8(22)14(28)16(30)12(5)26)1(3-6(7)13(27)17(31)15(29)9(3)23)4-10(24)18(32)20(34)19(33)11(4)25/h21-34H
InChIKeySKDWSKBTWZOVBN-UHFFFAOYSA-N
MW478.32 g/mol
LogP1.54
Rot. Bonds1

About 10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol

10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol (PubChem CID 163964140) has the molecular formula C20H14O14 and a molecular weight of 478.32 g/mol. Its IUPAC name is 10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol.

Molecular Properties

Compound Name10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol
PubChem CID163964140
Molecular FormulaC20H14O14
Molecular Weight478.32 g/mol
Exact Mass478.04
IUPAC Name10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol
SMILESOc1c(O)c(O)c(-c2c3c(O)c(O)c(O)c(O)c3c(O)c3c(O)c(O)c(O)c(O)c23)c(O)c1O
InChIInChI=1S/C20H14O14/c21-7-5-2(8(22)14(28)16(30)12(5)26)1(3-6(7)13(27)17(31)15(29)9(3)23)4-10(24)18(32)20(34)19(33)11(4)25/h21-34H
InChIKeySKDWSKBTWZOVBN-UHFFFAOYSA-N
XLogP1.54
TPSA283.22 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500478.32
LogP ≤ 51.54
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

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'}

Analyze 10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol with MolForge

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Related Compounds

9-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-10-[2-(1,3,4,5,6,7,8-heptahydroxynaphthalen-2-yl)-3,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol
CID 158377859
2-[10-(1,3,4,5,6,7,8-heptahydroxynaphthalen-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-[10-[1,3,4,5,7,8-hexahydroxy-6-(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-[2,3,4,6-tetrahydroxy-5-(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-[2,3,5,6-tetrahydroxy-4-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[6,7-b][1]benzofuran-1,3,4,6,7,8,9,10,11-nonol
CID 158567283
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
9-(1,2,3,5,6,7,8-heptahydroxy-9H-carbazol-4-yl)-10-[3-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-2,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol
CID 163555839
7-[1,2,3,4,5,6,7,8-octahydroxy-10-[2,3,4,5-tetrahydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,3,4,5,6-pentahydroxyphenyl)phenyl]phenyl]anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
CID 163518865
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
6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol
CID 163547290
9-(2,3,4,6,7,8,9-heptahydroxydibenzofuran-1-yl)-10-[2,3,6-trihydroxy-4,5-bis(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol
CID 159216077
1-[10-[3-(9-amino-2,3,4,5,6,7,8,9-octahydroxyfluoren-1-yl)-2,4,5,6-tetrahydroxyphenyl]-1,2,3,4,5,6,7,8-octahydroxyanthracen-9-yl]naphtho[6,7-b][1]benzofuran-2,3,4,6,7,8,9,10,11-nonol
CID 160864666
2-cyclopropyl-8-[1,2,3,4,5,6,8-heptahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)-7-[2,3,4,6-tetrahydroxy-5-(2,3,4,5,6-pentahydroxyphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran-1,3,4,6,7,9,10,11-octol
CID 163724680
2-[10-[3-(9-amino-1,2,3,5,6,7,8,9-octahydroxyfluoren-4-yl)-2,4,5,6-tetrahydroxyphenyl]-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
CID 163605195
10-[1,2,3,4,5,6,7,8-octahydroxy-10-(2,3,4,5,6,7,8,9,9-nonahydroxyfluoren-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran-1,2,3,4,5,6,8,9,11-nonol
CID 163621959

Frequently Asked Questions

What is the IUPAC name of 10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol?
The IUPAC name of 10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol (CID 163964140) is 10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol.
What is the SMILES notation for 10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol?
The canonical SMILES for 10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol is Oc1c(O)c(O)c(-c2c3c(O)c(O)c(O)c(O)c3c(O)c3c(O)c(O)c(O)c(O)c23)c(O)c1O.
What is the InChIKey of 10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol?
The InChIKey is SKDWSKBTWZOVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O14/c21-7-5-2(8(22)14(28)16(30)12(5)26)1(3-6(7)13(27)17(31)15(29)9(3)23)4-10(24)18(32)20(34)19(33)11(4)25/h21-34H.
What are the key properties of 10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol?
10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol has a molecular weight of 478.32 g/mol, XLogP of 1.54, 1 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,3,4,5,6-pentahydroxyphenyl)anthracene-1,2,3,4,5,6,7,8,9-nonol is sourced from PubChem (CID 163964140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).