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

C25H31O3SiU- — CID 59638484

IUPAC(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-prop-2-ynyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium
SMILESC#CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[CH-][C@H](O)[C@@H]1C.[U]
InChIInChI=1S/C25H31O3Si.U/c1-6-17-25(20(2)23(26)18-27-25)19-28-29(24(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22;/h1,7-16,18,20,23,26H,17,19H2,2-5H3;/q-1;/t20-,23-,25-;/m0./s1
InChIKeyKPPXACICRCYHMU-PKOOERSNSA-N
MW645.64 g/mol
LogP3.51
Rot. Bonds6

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

(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-prop-2-ynyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium (PubChem CID 59638484) has the molecular formula C25H31O3SiU- and a molecular weight of 645.64 g/mol. Its IUPAC name is (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-prop-2-ynyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium.

Molecular Properties

Compound Name(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-prop-2-ynyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium
PubChem CID59638484
Molecular FormulaC25H31O3SiU-
Molecular Weight645.64 g/mol
Exact Mass645.26
IUPAC Name(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-prop-2-ynyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium
SMILESC#CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[CH-][C@H](O)[C@@H]1C.[U]
InChIInChI=1S/C25H31O3Si.U/c1-6-17-25(20(2)23(26)18-27-25)19-28-29(24(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22;/h1,7-16,18,20,23,26H,17,19H2,2-5H3;/q-1;/t20-,23-,25-;/m0./s1
InChIKeyKPPXACICRCYHMU-PKOOERSNSA-N
XLogP3.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.64
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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]-4-methyl-5-prop-2-ynyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium?
The IUPAC name of (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-prop-2-ynyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium (CID 59638484) is (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-prop-2-ynyl-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]-4-methyl-5-prop-2-ynyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium?
The canonical SMILES for (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-prop-2-ynyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium is C#CC[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[CH-][C@H](O)[C@@H]1C.[U].
What is the InChIKey of (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-prop-2-ynyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium?
The InChIKey is KPPXACICRCYHMU-PKOOERSNSA-N. The full InChI is InChI=1S/C25H31O3Si.U/c1-6-17-25(20(2)23(26)18-27-25)19-28-29(24(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22;/h1,7-16,18,20,23,26H,17,19H2,2-5H3;/q-1;/t20-,23-,25-;/m0./s1.
What are the key properties of (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-prop-2-ynyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium?
(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-prop-2-ynyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium has a molecular weight of 645.64 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-5-prop-2-ynyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium is sourced from PubChem (CID 59638484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).