(3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one

C22H52O7Si5 — CID 101278657

IUPAC(3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C22H52O7Si5/c1-30(2,3)24-16-17(26-31(4,5)6)18(27-32(7,8)9)19-20(28-33(10,11)12)21(22(23)25-19)29-34(13,14)15/h17-21H,16H2,1-15H3/t17-,18-,19+,20-,21-/m1/s1
InChIKeyPSGHGDZCHPRHRA-YMQHIKHWSA-N
MW569.08 g/mol
LogP5.64
Rot. Bonds13

About (3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one

(3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one (PubChem CID 101278657) has the molecular formula C22H52O7Si5 and a molecular weight of 569.08 g/mol. Its IUPAC name is (3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one
PubChem CID101278657
Molecular FormulaC22H52O7Si5
Molecular Weight569.08 g/mol
Exact Mass568.26
IUPAC Name(3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C22H52O7Si5/c1-30(2,3)24-16-17(26-31(4,5)6)18(27-32(7,8)9)19-20(28-33(10,11)12)21(22(23)25-19)29-34(13,14)15/h17-21H,16H2,1-15H3/t17-,18-,19+,20-,21-/m1/s1
InChIKeyPSGHGDZCHPRHRA-YMQHIKHWSA-N
XLogP5.64
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.08
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
Arabino-Hexonic acid, 2-deoxy-3,5,6-tris-O-(trimethylsilyl)-, gamma-lactone
CID 523331
D-Ribo-Hexonic acid, 3-deoxy-2,5,6-tris-O-(trimethylsilyl)-, lactone
CID 523364
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Arabinonic acid, 1,4-lactone, TMS
CID 523387
Saccharic acid, TMS # 1
CID 523400
Glucaric acid, 2,3,5-tris-O-(trimethylsilyl)-, gamma-lactone, 6-(trimethylsilyl) ester
CID 553475
Glucuronic lactone, tris(trimethylsilyl)-
CID 553539

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one?
The IUPAC name of (3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one (CID 101278657) is (3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one.
What is the SMILES notation for (3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one?
The canonical SMILES for (3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one is C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of (3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one?
The InChIKey is PSGHGDZCHPRHRA-YMQHIKHWSA-N. The full InChI is InChI=1S/C22H52O7Si5/c1-30(2,3)24-16-17(26-31(4,5)6)18(27-32(7,8)9)19-20(28-33(10,11)12)21(22(23)25-19)29-34(13,14)15/h17-21H,16H2,1-15H3/t17-,18-,19+,20-,21-/m1/s1.
What are the key properties of (3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one?
(3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one has a molecular weight of 569.08 g/mol, XLogP of 5.64, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[(1S,2R)-1,2,3-tris(trimethylsilyloxy)propyl]oxolan-2-one is sourced from PubChem (CID 101278657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).