[(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane

C37H44O6Si — CID 173090939

IUPAC[(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane
SMILESCO[C@H]1O[C@H](COC(C)(C)C)[C@@H](O[SiH](c2ccccc2)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H44O6Si/c1-37(2,3)41-27-32-33(43-44(30-21-13-7-14-22-30)31-23-15-8-16-24-31)34(39-25-28-17-9-5-10-18-28)35(36(38-4)42-32)40-26-29-19-11-6-12-20-29/h5-24,32-36,44H,25-27H2,1-4H3/t32-,33-,34+,35-,36+/m1/s1
InChIKeyJLTCFRVWMBMCKO-GJXDWMKPSA-N
MW612.84 g/mol
LogP5.27
Rot. Bonds13

About [(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane

[(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane (PubChem CID 173090939) has the molecular formula C37H44O6Si and a molecular weight of 612.84 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Name[(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane
PubChem CID173090939
Molecular FormulaC37H44O6Si
Molecular Weight612.84 g/mol
Exact Mass612.29
IUPAC Name[(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane
SMILESCO[C@H]1O[C@H](COC(C)(C)C)[C@@H](O[SiH](c2ccccc2)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H44O6Si/c1-37(2,3)41-27-32-33(43-44(30-21-13-7-14-22-30)31-23-15-8-16-24-31)34(39-25-28-17-9-5-10-18-28)35(36(38-4)42-32)40-26-29-19-11-6-12-20-29/h5-24,32-36,44H,25-27H2,1-4H3/t32-,33-,34+,35-,36+/m1/s1
InChIKeyJLTCFRVWMBMCKO-GJXDWMKPSA-N
XLogP5.27
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.84
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane with MolForge

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Related Compounds

[(3S,4R,5R)-4-iodo-2-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-yl]oxy-diphenylsilane
CID 173074815
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
CID 70289541
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 175999132
(2S,3R,4R,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]peroxyoxane
CID 100959674
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
[(3R,6S)-6-[[(3R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 163470543
(2R,3R,4S,5R,6S)-2-(chloromethoxymethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 54470697

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane?
The IUPAC name of [(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane (CID 173090939) is [(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane.
What is the SMILES notation for [(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane?
The canonical SMILES for [(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane is CO[C@H]1O[C@H](COC(C)(C)C)[C@@H](O[SiH](c2ccccc2)c2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane?
The InChIKey is JLTCFRVWMBMCKO-GJXDWMKPSA-N. The full InChI is InChI=1S/C37H44O6Si/c1-37(2,3)41-27-32-33(43-44(30-21-13-7-14-22-30)31-23-15-8-16-24-31)34(39-25-28-17-9-5-10-18-28)35(36(38-4)42-32)40-26-29-19-11-6-12-20-29/h5-24,32-36,44H,25-27H2,1-4H3/t32-,33-,34+,35-,36+/m1/s1.
What are the key properties of [(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane?
[(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane has a molecular weight of 612.84 g/mol, XLogP of 5.27, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 173090939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).