[(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane

C27H42O6Si2 — CID 10940274

IUPAC[(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane
SMILESCO[C@H]1O[C@H](COCc2ccccc2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H42O6Si2/c1-28-27-26(30-19-22-16-12-9-13-17-22)25(33-35(5,6)7)24(32-34(2,3)4)23(31-27)20-29-18-21-14-10-8-11-15-21/h8-17,23-27H,18-20H2,1-7H3/t23-,24+,25+,26-,27+/m1/s1
InChIKeyHFYKHLGIXMNYSB-KQZFZZGISA-N
MW518.80 g/mol
LogP5.60
Rot. Bonds12

About [(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane

[(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane (PubChem CID 10940274) has the molecular formula C27H42O6Si2 and a molecular weight of 518.80 g/mol. Its IUPAC name is [(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane
PubChem CID10940274
Molecular FormulaC27H42O6Si2
Molecular Weight518.80 g/mol
Exact Mass518.25
IUPAC Name[(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane
SMILESCO[C@H]1O[C@H](COCc2ccccc2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H42O6Si2/c1-28-27-26(30-19-22-16-12-9-13-17-22)25(33-35(5,6)7)24(32-34(2,3)4)23(31-27)20-29-18-21-14-10-8-11-15-21/h8-17,23-27H,18-20H2,1-7H3/t23-,24+,25+,26-,27+/m1/s1
InChIKeyHFYKHLGIXMNYSB-KQZFZZGISA-N
XLogP5.60
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.80
LogP ≤ 55.60
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

(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(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
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
tert-butyl-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-dimethylsilane
CID 132937828
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
(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,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561
(2R,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 59651545
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(3R,4R,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 126693162
(2S,3R,4R,5S)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 118336610

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane?
The IUPAC name of [(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane (CID 10940274) is [(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane is CO[C@H]1O[C@H](COCc2ccccc2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane?
The InChIKey is HFYKHLGIXMNYSB-KQZFZZGISA-N. The full InChI is InChI=1S/C27H42O6Si2/c1-28-27-26(30-19-22-16-12-9-13-17-22)25(33-35(5,6)7)24(32-34(2,3)4)23(31-27)20-29-18-21-14-10-8-11-15-21/h8-17,23-27H,18-20H2,1-7H3/t23-,24+,25+,26-,27+/m1/s1.
What are the key properties of [(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane?
[(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane has a molecular weight of 518.80 g/mol, XLogP of 5.60, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 10940274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).