(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol

C22H30O6Si — CID 10811969

IUPAC(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCC(C)(C)[Si](O[C@@H]1C(O)O[C@@H](CO)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O6Si/c1-22(2,3)29(15-10-6-4-7-11-15,16-12-8-5-9-13-16)28-20-19(25)18(24)17(14-23)27-21(20)26/h4-13,17-21,23-26H,14H2,1-3H3/t17-,18+,19-,20-,21?/m0/s1
InChIKeyWXIONDGKQQUIGZ-MLVLIFOTSA-N
MW418.56 g/mol
LogP0.36
Rot. Bonds5

About (3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol

(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 10811969) has the molecular formula C22H30O6Si and a molecular weight of 418.56 g/mol. Its IUPAC name is (3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID10811969
Molecular FormulaC22H30O6Si
Molecular Weight418.56 g/mol
Exact Mass418.18
IUPAC Name(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCC(C)(C)[Si](O[C@@H]1C(O)O[C@@H](CO)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O6Si/c1-22(2,3)29(15-10-6-4-7-11-15,16-12-8-5-9-13-16)28-20-19(25)18(24)17(14-23)27-21(20)26/h4-13,17-21,23-26H,14H2,1-3H3/t17-,18+,19-,20-,21?/m0/s1
InChIKeyWXIONDGKQQUIGZ-MLVLIFOTSA-N
XLogP0.36
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol 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

(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol
CID 101473888
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodooxan-2-ol
CID 171122436
[(3S,4R,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dihydroxyoxan-3-yl] acetate
CID 134931192
(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol
CID 164669991
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol
CID 102433801
(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 171122175
(3R,5Z,8R,9S)-8-[tert-butyl(diphenyl)silyl]oxy-9-ethyl-2-(hydroxymethyl)-2,3,4,7,8,9-hexahydrooxonin-3-ol
CID 134931829
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-ol
CID 171125346
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
[(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 171122516
CID 88569468
CID 88569468
(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 (3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol (CID 10811969) is (3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol is CC(C)(C)[Si](O[C@@H]1C(O)O[C@@H](CO)[C@@H](O)[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is WXIONDGKQQUIGZ-MLVLIFOTSA-N. The full InChI is InChI=1S/C22H30O6Si/c1-22(2,3)29(15-10-6-4-7-11-15,16-12-8-5-9-13-16)28-20-19(25)18(24)17(14-23)27-21(20)26/h4-13,17-21,23-26H,14H2,1-3H3/t17-,18+,19-,20-,21?/m0/s1.
What are the key properties of (3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 418.56 g/mol, XLogP of 0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 10811969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).