[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane

C31H40O6Si — CID 11038791

IUPAC[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane
SMILESCO[C@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C31H40O6Si/c1-32-31-30(35-22-26-18-12-7-13-19-26)29(34-21-25-16-10-6-11-17-25)28(27(37-31)23-36-38(2,3)4)33-20-24-14-8-5-9-15-24/h5-19,27-31H,20-23H2,1-4H3/t27-,28-,29+,30-,31+/m1/s1
InChIKeyCFUUEMFCDXOFOA-SAEUYMBFSA-N
MW536.74 g/mol
LogP5.97
Rot. Bonds13

About [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane

[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane (PubChem CID 11038791) has the molecular formula C31H40O6Si and a molecular weight of 536.74 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane
PubChem CID11038791
Molecular FormulaC31H40O6Si
Molecular Weight536.74 g/mol
Exact Mass536.26
IUPAC Name[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane
SMILESCO[C@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C31H40O6Si/c1-32-31-30(35-22-26-18-12-7-13-19-26)29(34-21-25-16-10-6-11-17-25)28(27(37-31)23-36-38(2,3)4)33-20-24-14-8-5-9-15-24/h5-19,27-31H,20-23H2,1-4H3/t27-,28-,29+,30-,31+/m1/s1
InChIKeyCFUUEMFCDXOFOA-SAEUYMBFSA-N
XLogP5.97
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.74
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 196122
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Glyvenol
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ethyl 3,5,6-tris-O-(phenylmethyl)-beta-D-glucofuranoside
CID 5284629
1,4-DI-O-Benzylidene-5-deoxy-DL-ribitol
CID 298285
2,3,4,6-Tetra-O-benzylhexopyranose
CID 563647
2,3,4,6-Tetrakis-O-(phenylmethyl)-alpha-D-glucopyranose
CID 11731256
(4aR,6S,7S,8R,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 13871607
[(2S,3R,4S,5R,6R)-2-methoxy-3,5-bis(prop-2-enoxycarbonyloxy)-6-(trityloxymethyl)oxan-4-yl] prop-2-enyl carbonate
CID 44533255

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane?
The IUPAC name of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane (CID 11038791) is [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane.
What is the SMILES notation for [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane?
The canonical SMILES for [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane is CO[C@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane?
The InChIKey is CFUUEMFCDXOFOA-SAEUYMBFSA-N. The full InChI is InChI=1S/C31H40O6Si/c1-32-31-30(35-22-26-18-12-7-13-19-26)29(34-21-25-16-10-6-11-17-25)28(27(37-31)23-36-38(2,3)4)33-20-24-14-8-5-9-15-24/h5-19,27-31H,20-23H2,1-4H3/t27-,28-,29+,30-,31+/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane?
[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane has a molecular weight of 536.74 g/mol, XLogP of 5.97, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-trimethylsilane is sourced from PubChem (CID 11038791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).