4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium

C12H17O7U- — CID 59038923

IUPAC4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium
SMILESCC(=O)OC1[CH-]OC(COC(=O)CCC(=O)O)C1C.[U]
InChIInChI=1S/C12H17O7.U/c1-7-9(17-6-10(7)19-8(2)13)5-18-12(16)4-3-11(14)15;/h6-7,9-10H,3-5H2,1-2H3,(H,14,15);/q-1;
InChIKeyFILRMUSKQAXARA-UHFFFAOYSA-N
MW511.29 g/mol
LogP0.52
Rot. Bonds6

About 4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium

4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium (PubChem CID 59038923) has the molecular formula C12H17O7U- and a molecular weight of 511.29 g/mol. Its IUPAC name is 4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium.

Molecular Properties

Compound Name4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium
PubChem CID59038923
Molecular FormulaC12H17O7U-
Molecular Weight511.29 g/mol
Exact Mass511.15
IUPAC Name4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium
SMILESCC(=O)OC1[CH-]OC(COC(=O)CCC(=O)O)C1C.[U]
InChIInChI=1S/C12H17O7.U/c1-7-9(17-6-10(7)19-8(2)13)5-18-12(16)4-3-11(14)15;/h6-7,9-10H,3-5H2,1-2H3,(H,14,15);/q-1;
InChIKeyFILRMUSKQAXARA-UHFFFAOYSA-N
XLogP0.52
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium with MolForge

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Launch Full Analysis

Related Compounds

[5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyl-2,3,4,5-tetrahydrofuran-2-id-3-yl] acetate;uranium
CID 59038906
4-[(3-acetyloxy-4-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;[2-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]-4-methyl-2,3,4,5-tetrahydrofuran-5-id-3-yl] acetate;[5-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]-4-methyl-2,3,4,5-tetrahydrofuran-2-id-3-yl] acetate;2-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyl-2,3,4,5-tetrahydrofuran-5-id-3-ol;5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyl-2,3,4,5-tetrahydrofuran-2-id-3-ol;[2-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyl-2,3,4,5-tetrahydrofuran-5-id-3-yl] acetate;[5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyl-2,3,4,5-tetrahydrofuran-2-id-3-yl] acetate;2-[[dimethyl(propan-2-yl)silyl]oxymethyl]-2,3,4,5-tetrahydrofuran-5-ide-3,4-diol;[2-(hydroxymethyl)-4-methyl-2,3,4,5-tetrahydrofuran-5-id-3-yl] acetate;[5-(hydroxymethyl)-4-methyl-2,3,4,5-tetrahydrofuran-2-id-3-yl] acetate;uranium
CID 159074201
bis[[(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl] butanedioate
CID 177120183
4-[[(3R,4S,6S)-3,5-dihydroxy-4,6-dimethoxyoxan-2-yl]methoxy]-4-oxobutanoic acid
CID 140885524
10-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxydecanoic acid
CID 158748790
3-[(2S,3R,4R,5R,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]sulfanylpropanoic acid
CID 170092418
4-[4-acetyloxy-6-(acetyloxymethyl)-3,5-dimethyloxan-2-yl]oxybutanoic acid
CID 134167078
[(3S,4R,6S)-3,4-diacetyloxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 71155336
(3-acetyloxy-4,5,6-trimethyloxan-2-yl)methyl acetate
CID 70208070
4-[[3-acetyloxy-4-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methoxy]-4-oxobutanoic acid
CID 59114129
4-oxo-4-[[(3R,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(tetradecanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]butanoic acid
CID 170590466
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium?
The IUPAC name of 4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium (CID 59038923) is 4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium.
What is the SMILES notation for 4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium?
The canonical SMILES for 4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium is CC(=O)OC1[CH-]OC(COC(=O)CCC(=O)O)C1C.[U].
What is the InChIKey of 4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium?
The InChIKey is FILRMUSKQAXARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O7.U/c1-7-9(17-6-10(7)19-8(2)13)5-18-12(16)4-3-11(14)15;/h6-7,9-10H,3-5H2,1-2H3,(H,14,15);/q-1;.
What are the key properties of 4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium?
4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium has a molecular weight of 511.29 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetyloxy-3-methyl-2,3,4,5-tetrahydrofuran-5-id-2-yl)methoxy]-4-oxobutanoic acid;uranium is sourced from PubChem (CID 59038923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).