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

C25H33O4SiU- — CID 59483004

IUPAC(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-prop-2-enyl-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]1OC.[U]
InChIInChI=1S/C25H33O4Si.U/c1-6-17-25(23(27-5)22(26)18-28-25)19-29-30(24(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h6-16,18,22-23,26H,1,17,19H2,2-5H3;/q-1;/t22-,23-,25+;/m0./s1
InChIKeyFNHXHQWYBOAUKM-CTUHRSERSA-N
MW663.65 g/mol
LogP3.45
Rot. Bonds8

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

(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-prop-2-enyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium (PubChem CID 59483004) has the molecular formula C25H33O4SiU- and a molecular weight of 663.65 g/mol. Its IUPAC name is (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-prop-2-enyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium.

Molecular Properties

Compound Name(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-prop-2-enyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium
PubChem CID59483004
Molecular FormulaC25H33O4SiU-
Molecular Weight663.65 g/mol
Exact Mass663.27
IUPAC Name(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-prop-2-enyl-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]1OC.[U]
InChIInChI=1S/C25H33O4Si.U/c1-6-17-25(23(27-5)22(26)18-28-25)19-29-30(24(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h6-16,18,22-23,26H,1,17,19H2,2-5H3;/q-1;/t22-,23-,25+;/m0./s1
InChIKeyFNHXHQWYBOAUKM-CTUHRSERSA-N
XLogP3.45
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500663.65
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-prop-2-enyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium?
The IUPAC name of (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-prop-2-enyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium (CID 59483004) is (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-prop-2-enyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium.
What is the SMILES notation for (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-prop-2-enyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium?
The canonical SMILES for (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-prop-2-enyl-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]1OC.[U].
What is the InChIKey of (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-prop-2-enyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium?
The InChIKey is FNHXHQWYBOAUKM-CTUHRSERSA-N. The full InChI is InChI=1S/C25H33O4Si.U/c1-6-17-25(23(27-5)22(26)18-28-25)19-29-30(24(2,3)4,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h6-16,18,22-23,26H,1,17,19H2,2-5H3;/q-1;/t22-,23-,25+;/m0./s1.
What are the key properties of (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-prop-2-enyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium?
(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-prop-2-enyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium has a molecular weight of 663.65 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methoxy-5-prop-2-enyl-3,4-dihydro-2H-furan-2-id-3-ol;uranium is sourced from PubChem (CID 59483004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).