[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium

C28H39O9SSiU- — CID 59751259

IUPAC[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium
SMILESCOCC(OS(C)(=O)=O)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[CH-][C@H](OC(C)=O)[C@@H]1OC.[U]
InChIInChI=1S/C28H39O9SSi.U/c1-21(29)36-24-18-34-28(26(24)33-6,25(19-32-5)37-38(7,30)31)20-35-39(27(2,3)4,22-14-10-8-11-15-22)23-16-12-9-13-17-23;/h8-18,24-26H,19-20H2,1-7H3;/q-1;/t24-,25?,26-,28-;/m0./s1
InChIKeyMWRUPMNHFFHCNB-GSDVQTDDSA-N
MW817.79 g/mol
LogP2.43
Rot. Bonds12

About [(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium

[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium (PubChem CID 59751259) has the molecular formula C28H39O9SSiU- and a molecular weight of 817.79 g/mol. Its IUPAC name is [(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium.

Molecular Properties

Compound Name[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium
PubChem CID59751259
Molecular FormulaC28H39O9SSiU-
Molecular Weight817.79 g/mol
Exact Mass817.26
IUPAC Name[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium
SMILESCOCC(OS(C)(=O)=O)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[CH-][C@H](OC(C)=O)[C@@H]1OC.[U]
InChIInChI=1S/C28H39O9SSi.U/c1-21(29)36-24-18-34-28(26(24)33-6,25(19-32-5)37-38(7,30)31)20-35-39(27(2,3)4,22-14-10-8-11-15-22)23-16-12-9-13-17-23;/h8-18,24-26H,19-20H2,1-7H3;/q-1;/t24-,25?,26-,28-;/m0./s1
InChIKeyMWRUPMNHFFHCNB-GSDVQTDDSA-N
XLogP2.43
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500817.79
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium?
The IUPAC name of [(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium (CID 59751259) is [(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium.
What is the SMILES notation for [(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium?
The canonical SMILES for [(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium is COCC(OS(C)(=O)=O)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[CH-][C@H](OC(C)=O)[C@@H]1OC.[U].
What is the InChIKey of [(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium?
The InChIKey is MWRUPMNHFFHCNB-GSDVQTDDSA-N. The full InChI is InChI=1S/C28H39O9SSi.U/c1-21(29)36-24-18-34-28(26(24)33-6,25(19-32-5)37-38(7,30)31)20-35-39(27(2,3)4,22-14-10-8-11-15-22)23-16-12-9-13-17-23;/h8-18,24-26H,19-20H2,1-7H3;/q-1;/t24-,25?,26-,28-;/m0./s1.
What are the key properties of [(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium?
[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium has a molecular weight of 817.79 g/mol, XLogP of 2.43, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-(2-methoxy-1-methylsulfonyloxyethyl)-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium is sourced from PubChem (CID 59751259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).