[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol

C26H45NO5Si — CID 51051467

IUPAC[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol
SMILESC=C1C[C@H](C[C@@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](c3coc(C)n3)O2)O[C@@H](CO)C1
InChIInChI=1S/C26H45NO5Si/c1-16(2)33(17(3)4,18(5)6)32-23-12-22(11-21-9-19(7)10-24(14-28)30-21)31-26(13-23)25-15-29-20(8)27-25/h15-18,21-24,26,28H,7,9-14H2,1-6,8H3/t21-,22-,23+,24-,26-/m1/s1
InChIKeyZFKSWRLLYDRLIH-HROMDODWSA-N
MW479.73 g/mol
LogP6.25
Rot. Bonds9

About [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol

[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol (PubChem CID 51051467) has the molecular formula C26H45NO5Si and a molecular weight of 479.73 g/mol. Its IUPAC name is [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol
PubChem CID51051467
Molecular FormulaC26H45NO5Si
Molecular Weight479.73 g/mol
Exact Mass479.31
IUPAC Name[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol
SMILESC=C1C[C@H](C[C@@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](c3coc(C)n3)O2)O[C@@H](CO)C1
InChIInChI=1S/C26H45NO5Si/c1-16(2)33(17(3)4,18(5)6)32-23-12-22(11-21-9-19(7)10-24(14-28)30-21)31-26(13-23)25-15-29-20(8)27-25/h15-18,21-24,26,28H,7,9-14H2,1-6,8H3/t21-,22-,23+,24-,26-/m1/s1
InChIKeyZFKSWRLLYDRLIH-HROMDODWSA-N
XLogP6.25
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.73
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol?
The IUPAC name of [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol (CID 51051467) is [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol.
What is the SMILES notation for [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol?
The canonical SMILES for [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol is C=C1C[C@H](C[C@@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@H](c3coc(C)n3)O2)O[C@@H](CO)C1.
What is the InChIKey of [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol?
The InChIKey is ZFKSWRLLYDRLIH-HROMDODWSA-N. The full InChI is InChI=1S/C26H45NO5Si/c1-16(2)33(17(3)4,18(5)6)32-23-12-22(11-21-9-19(7)10-24(14-28)30-21)31-26(13-23)25-15-29-20(8)27-25/h15-18,21-24,26,28H,7,9-14H2,1-6,8H3/t21-,22-,23+,24-,26-/m1/s1.
What are the key properties of [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol?
[(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol has a molecular weight of 479.73 g/mol, XLogP of 6.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-4-methylidene-6-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]oxan-2-yl]methanol is sourced from PubChem (CID 51051467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).