[(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide

C15H36O6Si3-2 — CID 163623268

IUPAC[(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide
SMILESC[Si](C)(C)O[C@H]1[C@H](O[SiH-](C)(C)C)[C@@H](O)C(=O)O[C@@H]1CO[SiH-](C)(C)C
InChIInChI=1S/C15H36O6Si3/c1-22(2,3)18-10-11-13(20-23(4,5)6)14(21-24(7,8)9)12(16)15(17)19-11/h11-14,16,22,24H,10H2,1-9H3/q-2/t11-,12-,13-,14-/m1/s1
InChIKeyHPZCUOLKBJOWQL-AAVRWANBSA-N
MW396.71 g/mol
LogP2.03
Rot. Bonds7

About [(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide

[(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide (PubChem CID 163623268) has the molecular formula C15H36O6Si3-2 and a molecular weight of 396.71 g/mol. Its IUPAC name is [(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide.

Molecular Properties

Compound Name[(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide
PubChem CID163623268
Molecular FormulaC15H36O6Si3-2
Molecular Weight396.71 g/mol
Exact Mass396.18
IUPAC Name[(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide
SMILESC[Si](C)(C)O[C@H]1[C@H](O[SiH-](C)(C)C)[C@@H](O)C(=O)O[C@@H]1CO[SiH-](C)(C)C
InChIInChI=1S/C15H36O6Si3/c1-22(2,3)18-10-11-13(20-23(4,5)6)14(21-24(7,8)9)12(16)15(17)19-11/h11-14,16,22,24H,10H2,1-9H3/q-2/t11-,12-,13-,14-/m1/s1
InChIKeyHPZCUOLKBJOWQL-AAVRWANBSA-N
XLogP2.03
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.71
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide?
The IUPAC name of [(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide (CID 163623268) is [(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide.
What is the SMILES notation for [(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide?
The canonical SMILES for [(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide is C[Si](C)(C)O[C@H]1[C@H](O[SiH-](C)(C)C)[C@@H](O)C(=O)O[C@@H]1CO[SiH-](C)(C)C.
What is the InChIKey of [(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide?
The InChIKey is HPZCUOLKBJOWQL-AAVRWANBSA-N. The full InChI is InChI=1S/C15H36O6Si3/c1-22(2,3)18-10-11-13(20-23(4,5)6)14(21-24(7,8)9)12(16)15(17)19-11/h11-14,16,22,24H,10H2,1-9H3/q-2/t11-,12-,13-,14-/m1/s1.
What are the key properties of [(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide?
[(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide has a molecular weight of 396.71 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R,6R)-3-hydroxy-2-oxo-6-(trimethylsilanuidyloxymethyl)-5-trimethylsilyloxyoxan-4-yl]oxy-trimethylsilanuide is sourced from PubChem (CID 163623268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).