5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium

C9H9NO7Y-2 — CID 58843029

IUPAC5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium
SMILESO=C1[N-]C(=O)C2C3OC(C(O)C3O)C12.O=[C-]O.[Y]
InChIInChI=1S/C8H9NO5.CHO2.Y/c10-3-4(11)6-2-1(5(3)14-6)7(12)9-8(2)13;2-1-3;/h1-6,10-11H,(H,9,12,13);(H,2,3);/q;-1;/p-1
InChIKeyARVRCNCMULKEDM-UHFFFAOYSA-M
MW332.08 g/mol
LogP-2.23
Rot. Bonds

About 5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium

5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium (PubChem CID 58843029) has the molecular formula C9H9NO7Y-2 and a molecular weight of 332.08 g/mol. Its IUPAC name is 5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium.

Molecular Properties

Compound Name5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium
PubChem CID58843029
Molecular FormulaC9H9NO7Y-2
Molecular Weight332.08 g/mol
Exact Mass331.94
IUPAC Name5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium
SMILESO=C1[N-]C(=O)C2C3OC(C(O)C3O)C12.O=[C-]O.[Y]
InChIInChI=1S/C8H9NO5.CHO2.Y/c10-3-4(11)6-2-1(5(3)14-6)7(12)9-8(2)13;2-1-3;/h1-6,10-11H,(H,9,12,13);(H,2,3);/q;-1;/p-1
InChIKeyARVRCNCMULKEDM-UHFFFAOYSA-M
XLogP-2.23
TPSA135.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium?
The IUPAC name of 5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium (CID 58843029) is 5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium.
What is the SMILES notation for 5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium?
The canonical SMILES for 5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium is O=C1[N-]C(=O)C2C3OC(C(O)C3O)C12.O=[C-]O.[Y].
What is the InChIKey of 5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium?
The InChIKey is ARVRCNCMULKEDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO5.CHO2.Y/c10-3-4(11)6-2-1(5(3)14-6)7(12)9-8(2)13;2-1-3;/h1-6,10-11H,(H,9,12,13);(H,2,3);/q;-1;/p-1.
What are the key properties of 5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium?
5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium has a molecular weight of 332.08 g/mol, XLogP of -2.23, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium is sourced from PubChem (CID 58843029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).