(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol

C25H36O4Si — CID 10938882

IUPAC(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
SMILESCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)[C@@H](O)[C@H]1C
InChIInChI=1S/C25H36O4Si/c1-18-22(29-24(27-6)19(2)23(18)26)17-28-30(25(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18-19,22-24,26H,17H2,1-6H3/t18-,19+,22+,23+,24-/m0/s1
InChIKeyCAXLVPPDYFBTSD-CQRLQNNPSA-N
MW428.65 g/mol
LogP3.57
Rot. Bonds6

About (2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol

(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol (PubChem CID 10938882) has the molecular formula C25H36O4Si and a molecular weight of 428.65 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
PubChem CID10938882
Molecular FormulaC25H36O4Si
Molecular Weight428.65 g/mol
Exact Mass428.24
IUPAC Name(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
SMILESCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)[C@@H](O)[C@H]1C
InChIInChI=1S/C25H36O4Si/c1-18-22(29-24(27-6)19(2)23(18)26)17-28-30(25(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18-19,22-24,26H,17H2,1-6H3/t18-,19+,22+,23+,24-/m0/s1
InChIKeyCAXLVPPDYFBTSD-CQRLQNNPSA-N
XLogP3.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.65
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112
(2S,3R,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 124925214
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542
[(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxolan-3-yl] benzoate
CID 166444221
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenoxyoxane-3,4,5-triol
CID 134846505
6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol
CID 167659954
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyloxolan-2-one
CID 11731767
(3aS,5S,6R,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10960947
(3R,4S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol;(3R,4S,6S)-2-ethyl-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol
CID 91336528
(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 99774565
(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 73056658
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol?
The IUPAC name of (2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol (CID 10938882) is (2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol.
What is the SMILES notation for (2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol?
The canonical SMILES for (2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol is CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)[C@@H](O)[C@H]1C.
What is the InChIKey of (2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol?
The InChIKey is CAXLVPPDYFBTSD-CQRLQNNPSA-N. The full InChI is InChI=1S/C25H36O4Si/c1-18-22(29-24(27-6)19(2)23(18)26)17-28-30(25(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18-19,22-24,26H,17H2,1-6H3/t18-,19+,22+,23+,24-/m0/s1.
What are the key properties of (2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol?
(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol has a molecular weight of 428.65 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol is sourced from PubChem (CID 10938882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).