(2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one

C22H28O5Si — CID 102370001

IUPAC(2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one
SMILESC[C@H]1O[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@@H](O)C1=O
InChIInChI=1S/C22H28O5Si/c1-15-18(23)19(24)20(25)21(26-15)27-28(22(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,19-21,24-25H,1-4H3/t15-,19+,20-,21-/m1/s1
InChIKeyRWAFRLSNRAQYJK-CGRMTHRGSA-N
MW400.55 g/mol
LogP1.60
Rot. Bonds4

About (2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one

(2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one (PubChem CID 102370001) has the molecular formula C22H28O5Si and a molecular weight of 400.55 g/mol. Its IUPAC name is (2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one.

Molecular Properties

Compound Name(2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one
PubChem CID102370001
Molecular FormulaC22H28O5Si
Molecular Weight400.55 g/mol
Exact Mass400.17
IUPAC Name(2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one
SMILESC[C@H]1O[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@@H](O)C1=O
InChIInChI=1S/C22H28O5Si/c1-15-18(23)19(24)20(25)21(26-15)27-28(22(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,19-21,24-25H,1-4H3/t15-,19+,20-,21-/m1/s1
InChIKeyRWAFRLSNRAQYJK-CGRMTHRGSA-N
XLogP1.60
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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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Related Compounds

(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol
CID 102433801
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-ol
CID 171125346
(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
CID 177394561
[(2S,5R,6R)-4-bromo-5-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 171124282
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyloxolan-2-one
CID 11731767
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(1R,3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-1,4-dimethylcyclohexane-1-carboxylic acid
CID 67319834
(2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol
CID 90305083
(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 10938882

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one?
The IUPAC name of (2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one (CID 102370001) is (2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one.
What is the SMILES notation for (2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one?
The canonical SMILES for (2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one is C[C@H]1O[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@@H](O)C1=O.
What is the InChIKey of (2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one?
The InChIKey is RWAFRLSNRAQYJK-CGRMTHRGSA-N. The full InChI is InChI=1S/C22H28O5Si/c1-15-18(23)19(24)20(25)21(26-15)27-28(22(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,19-21,24-25H,1-4H3/t15-,19+,20-,21-/m1/s1.
What are the key properties of (2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one?
(2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one has a molecular weight of 400.55 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R,6R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-2-methyloxan-3-one is sourced from PubChem (CID 102370001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).