(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol

C23H32O4Si — CID 177394561

IUPAC(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
SMILESCO[C@H]1C[C@H](O)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)O1
InChIInChI=1S/C23H32O4Si/c1-17-22(20(24)16-21(25-5)26-17)27-28(23(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-22,24H,16H2,1-5H3/t17-,20-,21+,22-/m0/s1
InChIKeyHQIUGLNCDARLIV-MVWVFHAYSA-N
MW400.59 g/mol
LogP3.07
Rot. Bonds5

About (2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol

(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol (PubChem CID 177394561) has the molecular formula C23H32O4Si and a molecular weight of 400.59 g/mol. Its IUPAC name is (2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
PubChem CID177394561
Molecular FormulaC23H32O4Si
Molecular Weight400.59 g/mol
Exact Mass400.21
IUPAC Name(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
SMILESCO[C@H]1C[C@H](O)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)O1
InChIInChI=1S/C23H32O4Si/c1-17-22(20(24)16-21(25-5)26-17)27-28(23(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-22,24H,16H2,1-5H3/t17-,20-,21+,22-/m0/s1
InChIKeyHQIUGLNCDARLIV-MVWVFHAYSA-N
XLogP3.07
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-ol
CID 171125346
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol
CID 102433801
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
[(2S,5R,6R)-4-bromo-5-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 171124282
2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate
CID 10939389
[(2S,3R,4S,5R,6S)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-yl] acetate
CID 101050608
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol
CID 11977280
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3-carbonitrile
CID 70226546
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296
(1R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-ol
CID 11739262

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol?
The IUPAC name of (2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol (CID 177394561) is (2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol.
What is the SMILES notation for (2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol?
The canonical SMILES for (2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol is CO[C@H]1C[C@H](O)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)O1.
What is the InChIKey of (2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol?
The InChIKey is HQIUGLNCDARLIV-MVWVFHAYSA-N. The full InChI is InChI=1S/C23H32O4Si/c1-17-22(20(24)16-21(25-5)26-17)27-28(23(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-22,24H,16H2,1-5H3/t17-,20-,21+,22-/m0/s1.
What are the key properties of (2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol?
(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol has a molecular weight of 400.59 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol is sourced from PubChem (CID 177394561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).