5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten

C10H13NO5W — CID 58843017

IUPAC5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten
SMILESCOC1C(O)C2OC1C1C(=O)N(C)C(=O)C21.[W]
InChIInChI=1S/C10H13NO5.W/c1-11-9(13)3-4(10(11)14)7-8(15-2)5(12)6(3)16-7;/h3-8,12H,1-2H3;
InChIKeyAPTAKPHLMRMLGX-UHFFFAOYSA-N
MW411.06 g/mol
LogP-1.63
Rot. Bonds1

About 5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten

5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten (PubChem CID 58843017) has the molecular formula C10H13NO5W and a molecular weight of 411.06 g/mol. Its IUPAC name is 5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten.

Molecular Properties

Compound Name5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten
PubChem CID58843017
Molecular FormulaC10H13NO5W
Molecular Weight411.06 g/mol
Exact Mass411.03
IUPAC Name5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten
SMILESCOC1C(O)C2OC1C1C(=O)N(C)C(=O)C21.[W]
InChIInChI=1S/C10H13NO5.W/c1-11-9(13)3-4(10(11)14)7-8(15-2)5(12)6(3)16-7;/h3-8,12H,1-2H3;
InChIKeyAPTAKPHLMRMLGX-UHFFFAOYSA-N
XLogP-1.63
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.06
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(6R,7S)-6-hydroxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl] acetate;2,2,2-trifluoroacetic acid;1,1,1-trimethoxyethane;hydrate
CID 160947727
2-[(3aR,4R,5S,6R,7S,7aS)-5,6-dihydroxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]ethyl decanoate
CID 139041645
5-Hydroxy-6-methoxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 57702230
5,6-Dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 57702232
(3aR,5S,7aS)-5-hydroxy-4,7-dimethyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 58746063
Carbanide;(6-methoxy-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-id-5-yl) acetate;yttrium
CID 58843011
Hydroxymethanone;5-hydroxy-6-methoxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;yttrium
CID 58843020
5,6-Dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;ethanone;yttrium
CID 58843023
5,6-Dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-ide-1,3-dione;hydroxymethanone;yttrium
CID 58843029
4-Butyl-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 60066210
4-[3-[(6R,7R)-5-acetyloxy-6-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]propoxy]-4-oxobutanoic acid
CID 60107133
(6S,7S)-5,6-dihydroxy-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 60107142

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten?
The IUPAC name of 5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten (CID 58843017) is 5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten.
What is the SMILES notation for 5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten?
The canonical SMILES for 5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten is COC1C(O)C2OC1C1C(=O)N(C)C(=O)C21.[W].
What is the InChIKey of 5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten?
The InChIKey is APTAKPHLMRMLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5.W/c1-11-9(13)3-4(10(11)14)7-8(15-2)5(12)6(3)16-7;/h3-8,12H,1-2H3;.
What are the key properties of 5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten?
5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten has a molecular weight of 411.06 g/mol, XLogP of -1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methoxy-2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione;tungsten is sourced from PubChem (CID 58843017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).