(2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal

C36H86O11Si8 — CID 22297116

IUPAC(2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H](OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)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)39-27-30(43-51(10,11)12)31-34(46-54(19,20)21)35(47-55(22,23)24)36(40-31)38-26-29(42-50(7,8)9)33(45-53(16,17)18)32(44-52(13,14)15)28(25-37)41-49(4,5)6/h25,28-36H,26-27H2,1-24H3/t28-,29+,30+,31-,32+,33-,34-,35+,36+/m0/s1
InChIKeyYTHHYWPPRZKKKD-RSMSNIJPSA-N
MW919.76 g/mol
LogP9.32
Rot. Bonds25

About (2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal

(2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal (PubChem CID 22297116) has the molecular formula C36H86O11Si8 and a molecular weight of 919.76 g/mol. Its IUPAC name is (2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal.

Molecular Properties

Compound Name(2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
PubChem CID22297116
Molecular FormulaC36H86O11Si8
Molecular Weight919.76 g/mol
Exact Mass918.43
IUPAC Name(2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H](OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)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)39-27-30(43-51(10,11)12)31-34(46-54(19,20)21)35(47-55(22,23)24)36(40-31)38-26-29(42-50(7,8)9)33(45-53(16,17)18)32(44-52(13,14)15)28(25-37)41-49(4,5)6/h25,28-36H,26-27H2,1-24H3/t28-,29+,30+,31-,32+,33-,34-,35+,36+/m0/s1
InChIKeyYTHHYWPPRZKKKD-RSMSNIJPSA-N
XLogP9.32
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds25
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 (2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal with MolForge

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Related Compounds

(2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 101280607
(3R,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 91750476
[2-[1,2-bis(trimethylsilyloxy)ethyl]-5-methoxy-4-trimethylsilyloxyoxolan-3-yl]oxy-trimethylsilane
CID 553466
N-[(3S,4R,5R,6R)-2-[1-oxo-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]acetamide
CID 91726453
1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one
CID 612384
(E,2R,3S,4S,5S)-3-[(2S,3S,4R,5S,6S)-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-N,2,4,5,6-pentakis(trimethylsilyloxy)hexan-1-imine
CID 136661902
(3R,4S,5S)-5-[1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one
CID 6427170
(3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol
CID 25228157
N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine
CID 91754085
trimethyl-[(1S)-1-[(2S,3R,4R,5R)-3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]ethoxy]silane
CID 22294789
trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate
CID 91753644
(3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one
CID 91750481

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
The IUPAC name of (2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal (CID 22297116) is (2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal.
What is the SMILES notation for (2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
The canonical SMILES for (2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal is C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H]1O[C@@H](OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C.
What is the InChIKey of (2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
The InChIKey is YTHHYWPPRZKKKD-RSMSNIJPSA-N. The full InChI is InChI=1S/C36H86O11Si8/c1-48(2,3)39-27-30(43-51(10,11)12)31-34(46-54(19,20)21)35(47-55(22,23)24)36(40-31)38-26-29(42-50(7,8)9)33(45-53(16,17)18)32(44-52(13,14)15)28(25-37)41-49(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 (2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal?
(2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal has a molecular weight of 919.76 g/mol, XLogP of 9.32, 25 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-6-[(2R,3R,4S,5S)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]oxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexanal is sourced from PubChem (CID 22297116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).