(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium

C23H31O4SiU- — CID 59509643

IUPAC(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium
SMILESC[C@H]1[C@@H](O)[CH-]O[C@]1(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[U]
InChIInChI=1S/C23H31O4Si.U/c1-18-21(25)15-26-23(18,16-24)17-27-28(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-15,18,21,24-25H,16-17H2,1-4H3;/q-1;/t18-,21-,23+;/m0./s1
InChIKeyZNSUFOMAAKSYIL-JJIZMATFSA-N
MW637.61 g/mol
LogP2.48
Rot. Bonds6

About (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium

(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium (PubChem CID 59509643) has the molecular formula C23H31O4SiU- and a molecular weight of 637.61 g/mol. Its IUPAC name is (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium.

Molecular Properties

Compound Name(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium
PubChem CID59509643
Molecular FormulaC23H31O4SiU-
Molecular Weight637.61 g/mol
Exact Mass637.25
IUPAC Name(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium
SMILESC[C@H]1[C@@H](O)[CH-]O[C@]1(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[U]
InChIInChI=1S/C23H31O4Si.U/c1-18-21(25)15-26-23(18,16-24)17-27-28(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-15,18,21,24-25H,16-17H2,1-4H3;/q-1;/t18-,21-,23+;/m0./s1
InChIKeyZNSUFOMAAKSYIL-JJIZMATFSA-N
XLogP2.48
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.61
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium?
The IUPAC name of (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium (CID 59509643) is (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium.
What is the SMILES notation for (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium?
The canonical SMILES for (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium is C[C@H]1[C@@H](O)[CH-]O[C@]1(CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[U].
What is the InChIKey of (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium?
The InChIKey is ZNSUFOMAAKSYIL-JJIZMATFSA-N. The full InChI is InChI=1S/C23H31O4Si.U/c1-18-21(25)15-26-23(18,16-24)17-27-28(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-15,18,21,24-25H,16-17H2,1-4H3;/q-1;/t18-,21-,23+;/m0./s1.
What are the key properties of (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium?
(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium has a molecular weight of 637.61 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-4-methyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium is sourced from PubChem (CID 59509643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).