9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

C20H16O7 — CID 13453494

IUPAC9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCC(=O)C1(O)Cc2c(cc3c(c2O)C(=O)c2cccc(O)c2C3=O)C(O)C1
InChIInChI=1S/C20H16O7/c1-8(21)20(27)6-12-10(14(23)7-20)5-11-16(19(12)26)17(24)9-3-2-4-13(22)15(9)18(11)25/h2-5,14,22-23,26-27H,6-7H2,1H3
InChIKeyLNEBYJZWOYTDFZ-UHFFFAOYSA-N
MW368.34 g/mol
LogP1.17
Rot. Bonds1

About 9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione (PubChem CID 13453494) has the molecular formula C20H16O7 and a molecular weight of 368.34 g/mol. Its IUPAC name is 9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.

Molecular Properties

Compound Name9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
PubChem CID13453494
Molecular FormulaC20H16O7
Molecular Weight368.34 g/mol
Exact Mass368.09
IUPAC Name9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCC(=O)C1(O)Cc2c(cc3c(c2O)C(=O)c2cccc(O)c2C3=O)C(O)C1
InChIInChI=1S/C20H16O7/c1-8(21)20(27)6-12-10(14(23)7-20)5-11-16(19(12)26)17(24)9-3-2-4-13(22)15(9)18(11)25/h2-5,14,22-23,26-27H,6-7H2,1H3
InChIKeyLNEBYJZWOYTDFZ-UHFFFAOYSA-N
XLogP1.17
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;molecular iodine
CID 157425518
(6R,8R)-8-acetyl-5,6,8,10-tetrahydroxy-7,9-dihydro-6H-naphtho[2,3-f][1]benzothiole-4,11-dione
CID 23260017
dipotassium;(7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;carbonate
CID 70637043
(7S,9R)-9-acetyl-6,9,11-trihydroxy-7-methyl-8,10-dihydro-7H-tetracene-5,12-dione
CID 70886719
(9S)-9-acetyl-7-[(2R,4S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 134692768
(7R,9S)-9-acetyl-7-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 124870317
(3S,4R)-3,4,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
CID 11267725
3,4,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
CID 72776607
9-acetyl-6,7,9,11-tetrahydroxy-4-[(3-methoxyphenoxy)methoxy]-8,10-dihydro-7H-tetracene-5,12-dione
CID 70603459
methyl (1R,2R)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
CID 15559458
9-acetyl-6,9-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 13051574
methyl (1R,2S,4R)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
CID 162958247

Frequently Asked Questions

What is the IUPAC name of 9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
The IUPAC name of 9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione (CID 13453494) is 9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
What is the SMILES notation for 9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
The canonical SMILES for 9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione is CC(=O)C1(O)Cc2c(cc3c(c2O)C(=O)c2cccc(O)c2C3=O)C(O)C1.
What is the InChIKey of 9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
The InChIKey is LNEBYJZWOYTDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O7/c1-8(21)20(27)6-12-10(14(23)7-20)5-11-16(19(12)26)17(24)9-3-2-4-13(22)15(9)18(11)25/h2-5,14,22-23,26-27H,6-7H2,1H3.
What are the key properties of 9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione has a molecular weight of 368.34 g/mol, XLogP of 1.17, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione is sourced from PubChem (CID 13453494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).