(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol

C29H34O3SSi — CID 155677398

IUPAC(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol
SMILESCc1ccccc1S[C@H]1C=CO[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C29H34O3SSi/c1-22-13-11-12-18-26(22)33-27-19-20-31-25(28(27)30)21-32-34(29(2,3)4,23-14-7-5-8-15-23)24-16-9-6-10-17-24/h5-20,25,27-28,30H,21H2,1-4H3/t25-,27+,28+/m1/s1
InChIKeyRQFSHAXTQSFRNE-PKXQUSJVSA-N
MW490.74 g/mol
LogP5.31
Rot. Bonds7

About (2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol

(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol (PubChem CID 155677398) has the molecular formula C29H34O3SSi and a molecular weight of 490.74 g/mol. Its IUPAC name is (2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol
PubChem CID155677398
Molecular FormulaC29H34O3SSi
Molecular Weight490.74 g/mol
Exact Mass490.20
IUPAC Name(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol
SMILESCc1ccccc1S[C@H]1C=CO[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C29H34O3SSi/c1-22-13-11-12-18-26(22)33-27-19-20-31-25(28(27)30)21-32-34(29(2,3)4,23-14-7-5-8-15-23)24-16-9-6-10-17-24/h5-20,25,27-28,30H,21H2,1-4H3/t25-,27+,28+/m1/s1
InChIKeyRQFSHAXTQSFRNE-PKXQUSJVSA-N
XLogP5.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.74
LogP ≤ 55.31
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

(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 99774565
tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224
(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
(1S,2S,5R,6S)-5,6-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohex-3-en-1-ol
CID 11308251
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenoxyoxane-3,4,5-triol
CID 134846505
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
CID 10692836
(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 10938882
(2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
CID 10056504
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol (CID 155677398) is (2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol is Cc1ccccc1S[C@H]1C=CO[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol?
The InChIKey is RQFSHAXTQSFRNE-PKXQUSJVSA-N. The full InChI is InChI=1S/C29H34O3SSi/c1-22-13-11-12-18-26(22)33-27-19-20-31-25(28(27)30)21-32-34(29(2,3)4,23-14-7-5-8-15-23)24-16-9-6-10-17-24/h5-20,25,27-28,30H,21H2,1-4H3/t25-,27+,28+/m1/s1.
What are the key properties of (2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol?
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol has a molecular weight of 490.74 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 155677398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).