(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol

C29H34O4Si — CID 177419468

IUPAC(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)C=C[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34O4Si/c1-29(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-22-27-26(30)19-20-28(33-27)31-21-23-13-7-4-8-14-23/h4-20,26-28,30H,21-22H2,1-3H3/t26-,27-,28-/m1/s1
InChIKeyRPZFMESDQJXBAW-JCYYIGJDSA-N
MW474.67 g/mol
LogP4.42
Rot. Bonds8

About (2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol

(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 177419468) has the molecular formula C29H34O4Si and a molecular weight of 474.67 g/mol. Its IUPAC name is (2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID177419468
Molecular FormulaC29H34O4Si
Molecular Weight474.67 g/mol
Exact Mass474.22
IUPAC Name(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)C=C[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34O4Si/c1-29(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-22-27-26(30)19-20-28(33-27)31-21-23-13-7-4-8-14-23/h4-20,26-28,30H,21-22H2,1-3H3/t26-,27-,28-/m1/s1
InChIKeyRPZFMESDQJXBAW-JCYYIGJDSA-N
XLogP4.42
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.67
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 134880705
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(2S,3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 171124593
(2S,3R,6R)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 71403552
(2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 102291658
tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306
(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
(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol
CID 102489458
[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodo-4,5-bis(phenylmethoxy)oxan-2-yl] acetate
CID 101363384
(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol
CID 164669991
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
CID 142503970

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol (CID 177419468) is (2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol is CC(C)(C)[Si](OC[C@H]1O[C@@H](OCc2ccccc2)C=C[C@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is RPZFMESDQJXBAW-JCYYIGJDSA-N. The full InChI is InChI=1S/C29H34O4Si/c1-29(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-22-27-26(30)19-20-28(33-27)31-21-23-13-7-4-8-14-23/h4-20,26-28,30H,21-22H2,1-3H3/t26-,27-,28-/m1/s1.
What are the key properties of (2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol?
(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 474.67 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 177419468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).