1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione

C14H12O7 — CID 141286247

IUPAC1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione
SMILESO=C1C2=C(C(=O)c3c(O)cccc31)C(O)C(O)C(O)C2O
InChIInChI=1S/C14H12O7/c15-5-3-1-2-4-6(5)10(17)8-7(9(4)16)11(18)13(20)14(21)12(8)19/h1-3,11-15,18-21H
InChIKeyZATPOKXRTVBQBI-UHFFFAOYSA-N
MW292.24 g/mol
LogP-1.48
Rot. Bonds

About 1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione

1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione (PubChem CID 141286247) has the molecular formula C14H12O7 and a molecular weight of 292.24 g/mol. Its IUPAC name is 1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione.

Molecular Properties

Compound Name1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione
PubChem CID141286247
Molecular FormulaC14H12O7
Molecular Weight292.24 g/mol
Exact Mass292.06
IUPAC Name1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione
SMILESO=C1C2=C(C(=O)c3c(O)cccc31)C(O)C(O)C(O)C2O
InChIInChI=1S/C14H12O7/c15-5-3-1-2-4-6(5)10(17)8-7(9(4)16)11(18)13(20)14(21)12(8)19/h1-3,11-15,18-21H
InChIKeyZATPOKXRTVBQBI-UHFFFAOYSA-N
XLogP-1.48
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-1.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-(4,9-dihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid
CID 163056299
2-[(1R,3R)-4,9-dihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
CID 163056300
1,3,5-trihydroxyanthracene-9,10-dione
CID 11265324
methyl 2-(4,9-dihydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate
CID 85040553
1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094
CID 158452185
CID 158452185
1-chloro-5-hydroxyanthracene-9,10-dione
CID 12631756
(12R,14S,15R)-4,15-dihydroxy-14-methyl-13-oxatetracyclo[8.5.0.03,8.012,14]pentadeca-1(10),3(8),4,6-tetraene-2,9-dione
CID 95931194
4-hydroxy-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,13-pentaene-2,9-dione
CID 11550599
1,3,4,5-tetrahydroxy-2-methylanthracene-9,10-dione
CID 71325692
1-hydroxy-8-nitrosoanthracene-9,10-dione
CID 118601713
2-[(dimethylamino)methyl]-1,8-dihydroxyanthracene-9,10-dione
CID 20527645

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione?
The IUPAC name of 1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione (CID 141286247) is 1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione.
What is the SMILES notation for 1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione?
The canonical SMILES for 1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione is O=C1C2=C(C(=O)c3c(O)cccc31)C(O)C(O)C(O)C2O.
What is the InChIKey of 1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione?
The InChIKey is ZATPOKXRTVBQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O7/c15-5-3-1-2-4-6(5)10(17)8-7(9(4)16)11(18)13(20)14(21)12(8)19/h1-3,11-15,18-21H.
What are the key properties of 1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione?
1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione has a molecular weight of 292.24 g/mol, XLogP of -1.48, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentahydroxy-1,2,3,4-tetrahydroanthracene-9,10-dione is sourced from PubChem (CID 141286247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).