(2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal

C17H42O5Si4 — CID 22211826

IUPAC(2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-14-16(21-25(7,8)9)17(22-26(10,11)12)15(13-18)20-24(4,5)6/h13,15-17H,14H2,1-12H3/t15-,16-,17+/m1/s1
InChIKeyDWTGGLMCGFIELV-ZACQAIPSSA-N
MW438.86 g/mol
LogP4.70
Rot. Bonds12

About (2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal

(2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal (PubChem CID 22211826) has the molecular formula C17H42O5Si4 and a molecular weight of 438.86 g/mol. Its IUPAC name is (2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal.

Molecular Properties

Compound Name(2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal
PubChem CID22211826
Molecular FormulaC17H42O5Si4
Molecular Weight438.86 g/mol
Exact Mass438.21
IUPAC Name(2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si4/c1-23(2,3)19-14-16(21-25(7,8)9)17(22-26(10,11)12)15(13-18)20-24(4,5)6/h13,15-17H,14H2,1-12H3/t15-,16-,17+/m1/s1
InChIKeyDWTGGLMCGFIELV-ZACQAIPSSA-N
XLogP4.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.86
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

D-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 522260
D-Fructose, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-
CID 519639
2,3,4,5-Tetrakis(trimethylsilyloxy)pentanal
CID 529416
l-Fucose, tetra-TMS-ether
CID 529420
D-2-Deoxyribose, 3TMS derivative
CID 553079
1-O,3-O,4-O,5-O,6-O-Pentakis(trimethylsilyl)-D-fructose
CID 14367659
(2S,3S,4R,5R)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 15695113
(2R,4R)-2,3,4-tris(trimethylsilyloxy)pentanedial
CID 100980675
Arabinonic acid, pentakis-TMS
CID 523307
2-Deoxy-threo-pentaric acid, TMS
CID 523333
Arabinaric acid, (5TMS)-
CID 523386
Ribaric acid, TMS
CID 523409

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal?
The IUPAC name of (2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal (CID 22211826) is (2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal.
What is the SMILES notation for (2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal?
The canonical SMILES for (2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal is C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C.
What is the InChIKey of (2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal?
The InChIKey is DWTGGLMCGFIELV-ZACQAIPSSA-N. The full InChI is InChI=1S/C17H42O5Si4/c1-23(2,3)19-14-16(21-25(7,8)9)17(22-26(10,11)12)15(13-18)20-24(4,5)6/h13,15-17H,14H2,1-12H3/t15-,16-,17+/m1/s1.
What are the key properties of (2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal?
(2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal has a molecular weight of 438.86 g/mol, XLogP of 4.70, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanal is sourced from PubChem (CID 22211826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).