(2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal

C45H104O14Si9 — CID 91749922

IUPAC(2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OC[C@@H]1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]([C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)O1
InChIInChI=1S/C45H104O14Si9/c1-60(2,3)47-31-34-28-36(54-63(10,11)12)43(59-68(25,26)27)45(50-34)51-35-29-37(55-64(13,14)15)44(52-39(35)32-48-61(4,5)6)53-41(40(57-66(19,20)21)33-49-62(7,8)9)42(58-67(22,23)24)38(30-46)56-65(16,17)18/h30,34-45H,28-29,31-33H2,1-27H3/t34-,35-,36-,37+,38-,39+,40+,41+,42+,43+,44+,45+/m0/s1
InChIKeyWTCNHVWZHBJHJF-VHISFSQVSA-N
MW1122.09 g/mol
LogP11.06
Rot. Bonds29

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

(2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal (PubChem CID 91749922) has the molecular formula C45H104O14Si9 and a molecular weight of 1122.09 g/mol. Its IUPAC name is (2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal.

Molecular Properties

Compound Name(2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal
PubChem CID91749922
Molecular FormulaC45H104O14Si9
Molecular Weight1122.09 g/mol
Exact Mass1120.53
IUPAC Name(2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OC[C@@H]1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]([C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)O1
InChIInChI=1S/C45H104O14Si9/c1-60(2,3)47-31-34-28-36(54-63(10,11)12)43(59-68(25,26)27)45(50-34)51-35-29-37(55-64(13,14)15)44(52-39(35)32-48-61(4,5)6)53-41(40(57-66(19,20)21)33-49-62(7,8)9)42(58-67(22,23)24)38(30-46)56-65(16,17)18/h30,34-45H,28-29,31-33H2,1-27H3/t34-,35-,36-,37+,38-,39+,40+,41+,42+,43+,44+,45+/m0/s1
InChIKeyWTCNHVWZHBJHJF-VHISFSQVSA-N
XLogP11.06
TPSA137.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001122.09
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze (2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal?
The IUPAC name of (2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal (CID 91749922) is (2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal.
What is the SMILES notation for (2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal?
The canonical SMILES for (2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal is C[Si](C)(C)OC[C@@H]1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]([C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)O1.
What is the InChIKey of (2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal?
The InChIKey is WTCNHVWZHBJHJF-VHISFSQVSA-N. The full InChI is InChI=1S/C45H104O14Si9/c1-60(2,3)47-31-34-28-36(54-63(10,11)12)43(59-68(25,26)27)45(50-34)51-35-29-37(55-64(13,14)15)44(52-39(35)32-48-61(4,5)6)53-41(40(57-66(19,20)21)33-49-62(7,8)9)42(58-67(22,23)24)38(30-46)56-65(16,17)18/h30,34-45H,28-29,31-33H2,1-27H3/t34-,35-,36-,37+,38-,39+,40+,41+,42+,43+,44+,45+/m0/s1.
What are the key properties of (2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal?
(2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal has a molecular weight of 1122.09 g/mol, XLogP of 11.06, 29 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-4-[(2R,3R,5S,6R)-5-[(2R,3R,4S,6S)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-3-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal is sourced from PubChem (CID 91749922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).