(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal

C36H86O11Si8 — CID 91747568

IUPAC(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal
SMILESC[Si](C)(C)OC[C@@H]1O[C@H](OC(C=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C36H86O11Si8/c1-48(2,3)38-26-29-32(44-52(13,14)15)34(46-54(19,20)21)35(47-55(22,23)24)36(41-29)40-28(25-37)31(43-51(10,11)12)33(45-53(16,17)18)30(42-50(7,8)9)27-39-49(4,5)6/h25,28-36H,26-27H2,1-24H3/t28?,29-,30-,31-,32-,33-,34+,35-,36-/m0/s1
InChIKeyUXXXBYOCJHWUAV-BXNWTVITSA-N
MW919.76 g/mol
LogP9.32
Rot. Bonds24

About (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal

(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal (PubChem CID 91747568) has the molecular formula C36H86O11Si8 and a molecular weight of 919.76 g/mol. Its IUPAC name is (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal.

Molecular Properties

Compound Name(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal
PubChem CID91747568
Molecular FormulaC36H86O11Si8
Molecular Weight919.76 g/mol
Exact Mass918.43
IUPAC Name(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal
SMILESC[Si](C)(C)OC[C@@H]1O[C@H](OC(C=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C36H86O11Si8/c1-48(2,3)38-26-29-32(44-52(13,14)15)34(46-54(19,20)21)35(47-55(22,23)24)36(41-29)40-28(25-37)31(43-51(10,11)12)33(45-53(16,17)18)30(42-50(7,8)9)27-39-49(4,5)6/h25,28-36H,26-27H2,1-24H3/t28?,29-,30-,31-,32-,33-,34+,35-,36-/m0/s1
InChIKeyUXXXBYOCJHWUAV-BXNWTVITSA-N
XLogP9.32
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.76
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal 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 (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal?
The IUPAC name of (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal (CID 91747568) is (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal.
What is the SMILES notation for (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal?
The canonical SMILES for (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal is C[Si](C)(C)OC[C@@H]1O[C@H](OC(C=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C.
What is the InChIKey of (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal?
The InChIKey is UXXXBYOCJHWUAV-BXNWTVITSA-N. The full InChI is InChI=1S/C36H86O11Si8/c1-48(2,3)38-26-29-32(44-52(13,14)15)34(46-54(19,20)21)35(47-55(22,23)24)36(41-29)40-28(25-37)31(43-51(10,11)12)33(45-53(16,17)18)30(42-50(7,8)9)27-39-49(4,5)6/h25,28-36H,26-27H2,1-24H3/t28?,29-,30-,31-,32-,33-,34+,35-,36-/m0/s1.
What are the key properties of (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal?
(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal has a molecular weight of 919.76 g/mol, XLogP of 9.32, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)-2-[(2R,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal is sourced from PubChem (CID 91747568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).