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

C24H52O6Si3 — CID 11386849

IUPAC(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]1CO
InChIInChI=1S/C24H52O6Si3/c1-22(2,3)31(10,11)28-18-17(16-25)27-21(26)20(30-33(14,15)24(7,8)9)19(18)29-32(12,13)23(4,5)6/h17-20,25H,16H2,1-15H3/t17-,18-,19+,20-/m1/s1
InChIKeyDCEXZNPXRTZITE-YSTOQKLRSA-N
MW520.93 g/mol
LogP6.08
Rot. Bonds7

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

(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one (PubChem CID 11386849) has the molecular formula C24H52O6Si3 and a molecular weight of 520.93 g/mol. Its IUPAC name is (3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one.

Molecular Properties

Compound Name(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one
PubChem CID11386849
Molecular FormulaC24H52O6Si3
Molecular Weight520.93 g/mol
Exact Mass520.31
IUPAC Name(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]1CO
InChIInChI=1S/C24H52O6Si3/c1-22(2,3)31(10,11)28-18-17(16-25)27-21(26)20(30-33(14,15)24(7,8)9)19(18)29-32(12,13)23(4,5)6/h17-20,25H,16H2,1-15H3/t17-,18-,19+,20-/m1/s1
InChIKeyDCEXZNPXRTZITE-YSTOQKLRSA-N
XLogP6.08
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.93
LogP ≤ 56.08
H-Bond Donors ≤ 51
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
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(hydroxymethyl)-tetrahydropyran-2-one
CID 10659025
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
4-[Tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
6-t-Butyldimethylsilyloxymethyl-4-hydroxytetrahydropyran-2-one
CID 19389468
(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(dihydroxymethyl)-tetrahydropyran-2-one
CID 44128178
(2R,3S,4R,5R)-2,3,4,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-5-hydroxyhexanoyl fluoride
CID 88477380
(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one
CID 140966522
tert-butyl (3R,5S)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
CID 11485711
(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11490601
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(hydroxymethyl)oxolane-2-carboxylate
CID 14483580

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one?
The IUPAC name of (3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one (CID 11386849) is (3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one.
What is the SMILES notation for (3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one?
The canonical SMILES for (3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one is CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]1CO.
What is the InChIKey of (3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one?
The InChIKey is DCEXZNPXRTZITE-YSTOQKLRSA-N. The full InChI is InChI=1S/C24H52O6Si3/c1-22(2,3)31(10,11)28-18-17(16-25)27-21(26)20(30-33(14,15)24(7,8)9)19(18)29-32(12,13)23(4,5)6/h17-20,25H,16H2,1-15H3/t17-,18-,19+,20-/m1/s1.
What are the key properties of (3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one?
(3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one has a molecular weight of 520.93 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)oxan-2-one is sourced from PubChem (CID 11386849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).