(2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol

C22H30O5Si — CID 101040385

IUPAC(2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol
SMILESCO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H30O5Si/c1-22(2,3)28(16-11-7-5-8-12-16,17-13-9-6-10-14-17)26-15-18-19(23)20(24)21(25-4)27-18/h5-14,18-21,23-24H,15H2,1-4H3/t18-,19-,20+,21-/m1/s1
InChIKeyVDXGNUHJJRXFQP-MXEMCNAFSA-N
MW402.56 g/mol
LogP1.66
Rot. Bonds6

About (2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol

(2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol (PubChem CID 101040385) has the molecular formula C22H30O5Si and a molecular weight of 402.56 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol
PubChem CID101040385
Molecular FormulaC22H30O5Si
Molecular Weight402.56 g/mol
Exact Mass402.19
IUPAC Name(2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol
SMILESCO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H30O5Si/c1-22(2,3)28(16-11-7-5-8-12-16,17-13-9-6-10-14-17)26-15-18-19(23)20(24)21(25-4)27-18/h5-14,18-21,23-24H,15H2,1-4H3/t18-,19-,20+,21-/m1/s1
InChIKeyVDXGNUHJJRXFQP-MXEMCNAFSA-N
XLogP1.66
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol (CID 101040385) is (2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol is CO[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol?
The InChIKey is VDXGNUHJJRXFQP-MXEMCNAFSA-N. The full InChI is InChI=1S/C22H30O5Si/c1-22(2,3)28(16-11-7-5-8-12-16,17-13-9-6-10-14-17)26-15-18-19(23)20(24)21(25-4)27-18/h5-14,18-21,23-24H,15H2,1-4H3/t18-,19-,20+,21-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol?
(2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol has a molecular weight of 402.56 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3,4-diol is sourced from PubChem (CID 101040385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).