(2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol

C21H32O5Si — CID 174923210

IUPAC(2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol
SMILESC#CC(O[C@@H]1[C@@H](OC)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1O)c1ccccc1
InChIInChI=1S/C21H32O5Si/c1-8-16(15-12-10-9-11-13-15)25-19-18(22)17(26-20(19)23-5)14-24-27(6,7)21(2,3)4/h1,9-13,16-20,22H,14H2,2-7H3/t16?,17-,18-,19-,20-/m0/s1
InChIKeyFOXCBFBDFJWMFE-SAADTMEZSA-N
MW392.57 g/mol
LogP3.50
Rot. Bonds7

About (2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol

(2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol (PubChem CID 174923210) has the molecular formula C21H32O5Si and a molecular weight of 392.57 g/mol. Its IUPAC name is (2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol
PubChem CID174923210
Molecular FormulaC21H32O5Si
Molecular Weight392.57 g/mol
Exact Mass392.20
IUPAC Name(2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol
SMILESC#CC(O[C@@H]1[C@@H](OC)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1O)c1ccccc1
InChIInChI=1S/C21H32O5Si/c1-8-16(15-12-10-9-11-13-15)25-19-18(22)17(26-20(19)23-5)14-24-27(6,7)21(2,3)4/h1,9-13,16-20,22H,14H2,2-7H3/t16?,17-,18-,19-,20-/m0/s1
InChIKeyFOXCBFBDFJWMFE-SAADTMEZSA-N
XLogP3.50
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 102125850
tert-butyl-dimethyl-[[(6S)-6-(1-phenylprop-2-ynoxy)-3,6-dihydro-2H-pyran-2-yl]methoxy]silane
CID 6612656
(2R,3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,5-diol
CID 101200293
(2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolane-3,4-diol
CID 54754367
(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
(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol
CID 71607179
(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]oxy]-6-methoxyoxane-3,5-diol
CID 166177102
[(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxolan-3-yl] benzoate
CID 166444221
[(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-6-methoxy-5-tetradecanoyloxyoxan-4-yl] tetradecanoate
CID 139878339
(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol?
The IUPAC name of (2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol (CID 174923210) is (2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol.
What is the SMILES notation for (2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol?
The canonical SMILES for (2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol is C#CC(O[C@@H]1[C@@H](OC)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1O)c1ccccc1.
What is the InChIKey of (2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol?
The InChIKey is FOXCBFBDFJWMFE-SAADTMEZSA-N. The full InChI is InChI=1S/C21H32O5Si/c1-8-16(15-12-10-9-11-13-15)25-19-18(22)17(26-20(19)23-5)14-24-27(6,7)21(2,3)4/h1,9-13,16-20,22H,14H2,2-7H3/t16?,17-,18-,19-,20-/m0/s1.
What are the key properties of (2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol?
(2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol has a molecular weight of 392.57 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-4-(1-phenylprop-2-ynoxy)oxolan-3-ol is sourced from PubChem (CID 174923210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).