2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone

C12H6N2O8 — CID 165116815

IUPAC2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone
SMILESO=c1c(O)c(O)c(=O)c2[nH]c3c(=O)c(O)c(O)c(=O)c3[nH]c12
InChIInChI=1S/C12H6N2O8/c15-5-1-2(6(16)10(20)9(5)19)14-4-3(13-1)7(17)11(21)12(22)8(4)18/h13-14,19-22H
InChIKeyRUZHYCZSCLGVAN-UHFFFAOYSA-N
MW306.19 g/mol
LogP-1.65
Rot. Bonds

About 2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone

2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone (PubChem CID 165116815) has the molecular formula C12H6N2O8 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone.

Molecular Properties

Compound Name2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone
PubChem CID165116815
Molecular FormulaC12H6N2O8
Molecular Weight306.19 g/mol
Exact Mass306.01
IUPAC Name2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone
SMILESO=c1c(O)c(O)c(=O)c2[nH]c3c(=O)c(O)c(O)c(=O)c3[nH]c12
InChIInChI=1S/C12H6N2O8/c15-5-1-2(6(16)10(20)9(5)19)14-4-3(13-1)7(17)11(21)12(22)8(4)18/h13-14,19-22H
InChIKeyRUZHYCZSCLGVAN-UHFFFAOYSA-N
XLogP-1.65
TPSA180.78 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.19
LogP ≤ 5-1.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone?
The IUPAC name of 2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone (CID 165116815) is 2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone.
What is the SMILES notation for 2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone?
The canonical SMILES for 2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone is O=c1c(O)c(O)c(=O)c2[nH]c3c(=O)c(O)c(O)c(=O)c3[nH]c12.
What is the InChIKey of 2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone?
The InChIKey is RUZHYCZSCLGVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O8/c15-5-1-2(6(16)10(20)9(5)19)14-4-3(13-1)7(17)11(21)12(22)8(4)18/h13-14,19-22H.
What are the key properties of 2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone?
2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone has a molecular weight of 306.19 g/mol, XLogP of -1.65, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone is sourced from PubChem (CID 165116815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).