[(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane

C28H48O6Si — CID 167608349

IUPAC[(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane
SMILESCCC1O[C@H](O[C@@H]2C(COCc3ccccc3)O[C@H](OC)C(C)[C@H]2C)[C@H](O[Si](C)(C)C)C(C)[C@@H]1C
InChIInChI=1S/C28H48O6Si/c1-10-23-18(2)19(3)26(34-35(7,8)9)28(31-23)33-25-20(4)21(5)27(29-6)32-24(25)17-30-16-22-14-12-11-13-15-22/h11-15,18-21,23-28H,10,16-17H2,1-9H3/t18-,19?,20+,21?,23?,24?,25-,26+,27-,28+/m0/s1
InChIKeyKRPZREJZJNBJRB-TVDWJWCISA-N
MW508.77 g/mol
LogP5.86
Rot. Bonds10

About [(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane

[(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane (PubChem CID 167608349) has the molecular formula C28H48O6Si and a molecular weight of 508.77 g/mol. Its IUPAC name is [(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane
PubChem CID167608349
Molecular FormulaC28H48O6Si
Molecular Weight508.77 g/mol
Exact Mass508.32
IUPAC Name[(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane
SMILESCCC1O[C@H](O[C@@H]2C(COCc3ccccc3)O[C@H](OC)C(C)[C@H]2C)[C@H](O[Si](C)(C)C)C(C)[C@@H]1C
InChIInChI=1S/C28H48O6Si/c1-10-23-18(2)19(3)26(34-35(7,8)9)28(31-23)33-25-20(4)21(5)27(29-6)32-24(25)17-30-16-22-14-12-11-13-15-22/h11-15,18-21,23-28H,10,16-17H2,1-9H3/t18-,19?,20+,21?,23?,24?,25-,26+,27-,28+/m0/s1
InChIKeyKRPZREJZJNBJRB-TVDWJWCISA-N
XLogP5.86
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.77
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane with MolForge

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Related Compounds

[(2S,3R,4R,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilane
CID 10940274
(2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane
CID 167640329
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2R,3R,4S,5R,6R)-2-methoxy-3-[(2R,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101143250
(2R,4R,5S)-5-[(2S,5S)-5,6-dimethyl-3-phenylmethoxyoxan-2-yl]oxy-3,4-dimethyl-2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 174093632
[(2S,4R,5R)-2-[(3R,4S,6S)-2-[[(2S,4S,5S)-3-[(2S,4R,5S)-5-[(2S,4S,5R)-3-acetyloxy-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-ethyl-3,4-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxymethyl]-6-[(3S,4R,6R)-4,5-dimethyl-6-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-methyl-5-phenylmethoxyoxan-4-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
CID 118551276
(2S,3S,4S,5R,6S)-2-(iodomethyl)-6-methoxy-4,5-bis(phenylmethoxy)-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 10079675
(2S,5R)-2-methoxy-5-phenylmethoxy-4-(phenylmethoxymethyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 134832463
(3R,4R,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 126693162
(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,4R,5S)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 118336610

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane?
The IUPAC name of [(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane (CID 167608349) is [(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane is CCC1O[C@H](O[C@@H]2C(COCc3ccccc3)O[C@H](OC)C(C)[C@H]2C)[C@H](O[Si](C)(C)C)C(C)[C@@H]1C.
What is the InChIKey of [(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane?
The InChIKey is KRPZREJZJNBJRB-TVDWJWCISA-N. The full InChI is InChI=1S/C28H48O6Si/c1-10-23-18(2)19(3)26(34-35(7,8)9)28(31-23)33-25-20(4)21(5)27(29-6)32-24(25)17-30-16-22-14-12-11-13-15-22/h11-15,18-21,23-28H,10,16-17H2,1-9H3/t18-,19?,20+,21?,23?,24?,25-,26+,27-,28+/m0/s1.
What are the key properties of [(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane?
[(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane has a molecular weight of 508.77 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 167608349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).