(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C18H36O11Si — CID 176654186

About (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 176654186) has the molecular formula C18H36O11Si and a molecular weight of 456.56 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 176654186
• Molecular Formula: C18H36O11Si
• Molecular Weight: 456.56 g/mol
• Exact Mass: 456.20
• IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C18H36O11Si/c1-18(2,3)30(4,5)29-17-14(25)12(23)15(9(7-20)27-17)28-16-13(24)11(22)10(21)8(6-19)26-16/h8-17,19-25H,6-7H2,1-5H3/t8-,9-,10+,11+,12-,13-,14-,15-,16+,17?/m1/s1
• InChIKey: JRFRTTFSHYYZBR-BJSBDWBWSA-N
• XLogP: -2.37
• TPSA: 178.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	456.56
LogP ≤ 5	-2.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 176654186) is (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CC(C)(C)[Si](C)(C)OC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.

What is the InChIKey of (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is JRFRTTFSHYYZBR-BJSBDWBWSA-N. The full InChI is InChI=1S/C18H36O11Si/c1-18(2,3)30(4,5)29-17-14(25)12(23)15(9(7-20)27-17)28-16-13(24)11(22)10(21)8(6-19)26-16/h8-17,19-25H,6-7H2,1-5H3/t8-,9-,10+,11+,12-,13-,14-,15-,16+,17?/m1/s1.

What are the key properties of (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 456.56 g/mol, XLogP of -2.37, 6 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 176654186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).