(3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one

C22H28O5Si — CID 11440980

IUPAC(3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](O)[C@@H](O)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O5Si/c1-22(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-15-16-14-19(23)20(24)21(25)27-16/h4-13,16,19-20,23-24H,14-15H2,1-3H3/t16-,19+,20+/m0/s1
InChIKeyKFFULZOOUVUKTA-PWIZWCRZSA-N
MW400.55 g/mol
LogP1.60
Rot. Bonds5

About (3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one

(3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one (PubChem CID 11440980) has the molecular formula C22H28O5Si and a molecular weight of 400.55 g/mol. Its IUPAC name is (3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one.

Molecular Properties

Compound Name(3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one
PubChem CID11440980
Molecular FormulaC22H28O5Si
Molecular Weight400.55 g/mol
Exact Mass400.17
IUPAC Name(3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](O)[C@@H](O)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O5Si/c1-22(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-15-16-14-19(23)20(24)21(25)27-16/h4-13,16,19-20,23-24H,14-15H2,1-3H3/t16-,19+,20+/m0/s1
InChIKeyKFFULZOOUVUKTA-PWIZWCRZSA-N
XLogP1.60
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 51.60
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 (3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one?
The IUPAC name of (3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one (CID 11440980) is (3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one.
What is the SMILES notation for (3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one?
The canonical SMILES for (3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one is CC(C)(C)[Si](OC[C@@H]1C[C@@H](O)[C@@H](O)C(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one?
The InChIKey is KFFULZOOUVUKTA-PWIZWCRZSA-N. The full InChI is InChI=1S/C22H28O5Si/c1-22(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-15-16-14-19(23)20(24)21(25)27-16/h4-13,16,19-20,23-24H,14-15H2,1-3H3/t16-,19+,20+/m0/s1.
What are the key properties of (3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one?
(3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one has a molecular weight of 400.55 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxyoxan-2-one is sourced from PubChem (CID 11440980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).