(2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal

C28H66O9Si6 — CID 91749915

IUPAC(2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal
SMILESC[Si](C)(C)OC[C@@H](O[C@@H]1OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C28H66O9Si6/c1-38(2,3)31-21-23(25(35-41(10,11)12)22(19-29)33-39(4,5)6)32-28-27(37-43(16,17)18)26(36-42(13,14)15)24(20-30-28)34-40(7,8)9/h19,22-28H,20-21H2,1-18H3/t22-,23+,24+,25+,26-,27+,28-/m0/s1
InChIKeyFNKUSCCBLBUZFF-WOWQWJCPSA-N
MW715.34 g/mol
LogP6.88
Rot. Bonds18

About (2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal

(2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal (PubChem CID 91749915) has the molecular formula C28H66O9Si6 and a molecular weight of 715.34 g/mol. Its IUPAC name is (2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal.

Molecular Properties

Compound Name(2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal
PubChem CID91749915
Molecular FormulaC28H66O9Si6
Molecular Weight715.34 g/mol
Exact Mass714.33
IUPAC Name(2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal
SMILESC[Si](C)(C)OC[C@@H](O[C@@H]1OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C28H66O9Si6/c1-38(2,3)31-21-23(25(35-41(10,11)12)22(19-29)33-39(4,5)6)32-28-27(37-43(16,17)18)26(36-42(13,14)15)24(20-30-28)34-40(7,8)9/h19,22-28H,20-21H2,1-18H3/t22-,23+,24+,25+,26-,27+,28-/m0/s1
InChIKeyFNKUSCCBLBUZFF-WOWQWJCPSA-N
XLogP6.88
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.34
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal?
The IUPAC name of (2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal (CID 91749915) is (2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal.
What is the SMILES notation for (2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal?
The canonical SMILES for (2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal is C[Si](C)(C)OC[C@@H](O[C@@H]1OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[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 (2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal?
The InChIKey is FNKUSCCBLBUZFF-WOWQWJCPSA-N. The full InChI is InChI=1S/C28H66O9Si6/c1-38(2,3)31-21-23(25(35-41(10,11)12)22(19-29)33-39(4,5)6)32-28-27(37-43(16,17)18)26(36-42(13,14)15)24(20-30-28)34-40(7,8)9/h19,22-28H,20-21H2,1-18H3/t22-,23+,24+,25+,26-,27+,28-/m0/s1.
What are the key properties of (2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal?
(2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal has a molecular weight of 715.34 g/mol, XLogP of 6.88, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2,3,5-tris(trimethylsilyloxy)-4-[(2S,3R,4S,5R)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxypentanal is sourced from PubChem (CID 91749915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).