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

C36H86O11Si8 — CID 91733368

IUPAC2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(OC1O[C@H](CO[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)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C36H86O11Si8/c1-48(2,3)38-26-29-33(45-53(16,17)18)34(46-54(19,20)21)35(47-55(22,23)24)36(40-29)41-31(30(43-51(10,11)12)27-39-49(4,5)6)32(44-52(13,14)15)28(25-37)42-50(7,8)9/h25,28-36H,26-27H2,1-24H3/t28?,29-,30?,31?,32?,33-,34+,35-,36?/m1/s1
InChIKeyWYWLKMPVLWYQIP-WOPFHDOBSA-N
MW919.76 g/mol
LogP9.32
Rot. Bonds24

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

2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal (PubChem CID 91733368) has the molecular formula C36H86O11Si8 and a molecular weight of 919.76 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal.

Molecular Properties

Compound Name2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal
PubChem CID91733368
Molecular FormulaC36H86O11Si8
Molecular Weight919.76 g/mol
Exact Mass918.43
IUPAC Name2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal
SMILESC[Si](C)(C)OCC(O[Si](C)(C)C)C(OC1O[C@H](CO[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)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C
InChIInChI=1S/C36H86O11Si8/c1-48(2,3)38-26-29-33(45-53(16,17)18)34(46-54(19,20)21)35(47-55(22,23)24)36(40-29)41-31(30(43-51(10,11)12)27-39-49(4,5)6)32(44-52(13,14)15)28(25-37)42-50(7,8)9/h25,28-36H,26-27H2,1-24H3/t28?,29-,30?,31?,32?,33-,34+,35-,36?/m1/s1
InChIKeyWYWLKMPVLWYQIP-WOPFHDOBSA-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 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal with MolForge

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Related Compounds

D-(+)-Galacturonic acid, 5TMS derivative
CID 553415
Methyl glucuronide, TMS
CID 609395
D(+)-Turanose, TMS
CID 22296522
D-Leucrose, TMS
CID 91750478
Glucuronic acid TMS
CID 22214290
alpha-Kojibiose TMS
CID 91747558
beta-Kojibiose TMS
CID 91747568
Maltulose TMS, #1
CID 91747577
beta-Galacturonic acid, TMS
CID 91747578
Laminaribiose (8tms)-1
CID 91749909
Xylobiose (6tms)-1
CID 91749915
Maltotriose (11tms)
CID 91749922

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal?
The IUPAC name of 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal (CID 91733368) is 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal.
What is the SMILES notation for 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal?
The canonical SMILES for 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal is C[Si](C)(C)OCC(O[Si](C)(C)C)C(OC1O[C@H](CO[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)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C.
What is the InChIKey of 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal?
The InChIKey is WYWLKMPVLWYQIP-WOPFHDOBSA-N. The full InChI is InChI=1S/C36H86O11Si8/c1-48(2,3)38-26-29-33(45-53(16,17)18)34(46-54(19,20)21)35(47-55(22,23)24)36(40-29)41-31(30(43-51(10,11)12)27-39-49(4,5)6)32(44-52(13,14)15)28(25-37)42-50(7,8)9/h25,28-36H,26-27H2,1-24H3/t28?,29-,30?,31?,32?,33-,34+,35-,36?/m1/s1.
What are the key properties of 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal?
2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-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 2,3,5,6-tetrakis(trimethylsilyloxy)-4-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexanal is sourced from PubChem (CID 91733368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).