(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one

C15H30O6Si — CID 139800089

IUPAC(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one
SMILES[2H]CO[C@H]1[C@H](OC[2H])[C@@H](OC[2H])C(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O6Si/c1-15(2,3)22(7,8)20-9-10-11(17-4)12(18-5)13(19-6)14(16)21-10/h10-13H,9H2,1-8H3/t10-,11-,12+,13-/m1/s1/i4D,5D,6D
InChIKeyKYBLEVCAQMYOTE-XIGSGGBLSA-N
MW337.50 g/mol
LogP1.98
Rot. Bonds9

About (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one

(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one (PubChem CID 139800089) has the molecular formula C15H30O6Si and a molecular weight of 337.50 g/mol. Its IUPAC name is (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one.

Molecular Properties

Compound Name(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one
PubChem CID139800089
Molecular FormulaC15H30O6Si
Molecular Weight337.50 g/mol
Exact Mass337.20
IUPAC Name(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one
SMILES[2H]CO[C@H]1[C@H](OC[2H])[C@@H](OC[2H])C(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O6Si/c1-15(2,3)22(7,8)20-9-10-11(17-4)12(18-5)13(19-6)14(16)21-10/h10-13H,9H2,1-8H3/t10-,11-,12+,13-/m1/s1/i4D,5D,6D
InChIKeyKYBLEVCAQMYOTE-XIGSGGBLSA-N
XLogP1.98
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 51.98
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

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
(2R,3R,4S,5R)-2-(Acetoxymethyl)-6-oxotetrahydro-2H-pyran-3,4,5-triyl triacetate
CID 11013415
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
d-Gluconic acid, 2,3,4,6-tetra-O-methyl-, delta-lactone
CID 589269
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
((2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxotetrahydro-2H-pyran-2-yl)methyl acetate
CID 16113281
(2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxo-tetrahydro-2H-pyran-2-carbaldehyde
CID 16113282
2,3,4,6-Tetra-o-acetyl-d-glucono-1,5-lactone
CID 129829632
(3,4,5-Triacetyloxy-6-oxooxan-2-yl)methyl acetate
CID 14844643
methyl (2S,3S,4R,5S)-3,4,5-triacetyloxyoxane-2-carboxylate
CID 126727520
(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one
CID 140966522

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one?
The IUPAC name of (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one (CID 139800089) is (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one.
What is the SMILES notation for (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one?
The canonical SMILES for (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one is [2H]CO[C@H]1[C@H](OC[2H])[C@@H](OC[2H])C(=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one?
The InChIKey is KYBLEVCAQMYOTE-XIGSGGBLSA-N. The full InChI is InChI=1S/C15H30O6Si/c1-15(2,3)22(7,8)20-9-10-11(17-4)12(18-5)13(19-6)14(16)21-10/h10-13H,9H2,1-8H3/t10-,11-,12+,13-/m1/s1/i4D,5D,6D.
What are the key properties of (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one?
(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one has a molecular weight of 337.50 g/mol, XLogP of 1.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(deuteriomethoxy)oxan-2-one is sourced from PubChem (CID 139800089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).