(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

C54H129NO16Si12 — CID 136661902

IUPAC(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
SMILESC[Si](C)(C)OC[C@@H]1O[C@@H](O[C@H]([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](/C=N/O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C54H129NO16Si12/c1-72(2,3)56-38-42-46(65-77(16,17)18)49(62-54-52(70-82(31,32)33)50(68-80(25,26)27)47(66-78(19,20)21)43(60-54)39-57-73(4,5)6)51(69-81(28,29)30)53(59-42)61-45(41(63-75(10,11)12)37-55-71-83(34,35)36)48(67-79(22,23)24)44(64-76(13,14)15)40-58-74(7,8)9/h37,41-54H,38-40H2,1-36H3/b55-37+/t41-,42+,43+,44+,45+,46+,47+,48-,49-,50-,51+,52+,53+,54+/m1/s1
InChIKeyKBXQQCBUZUFDIW-IYLBBFBVSA-N
MW1385.65 g/mol
LogP14.36
Rot. Bonds35

About (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

(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 (PubChem CID 136661902) has the molecular formula C54H129NO16Si12 and a molecular weight of 1385.65 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID136661902
Molecular FormulaC54H129NO16Si12
Molecular Weight1385.65 g/mol
Exact Mass1383.65
IUPAC Name(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
SMILESC[Si](C)(C)OC[C@@H]1O[C@@H](O[C@H]([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](/C=N/O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C54H129NO16Si12/c1-72(2,3)56-38-42-46(65-77(16,17)18)49(62-54-52(70-82(31,32)33)50(68-80(25,26)27)47(66-78(19,20)21)43(60-54)39-57-73(4,5)6)51(69-81(28,29)30)53(59-42)61-45(41(63-75(10,11)12)37-55-71-83(34,35)36)48(67-79(22,23)24)44(64-76(13,14)15)40-58-74(7,8)9/h37,41-54H,38-40H2,1-36H3/b55-37+/t41-,42+,43+,44+,45+,46+,47+,48-,49-,50-,51+,52+,53+,54+/m1/s1
InChIKeyKBXQQCBUZUFDIW-IYLBBFBVSA-N
XLogP14.36
TPSA160.04 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds35
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001385.65
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Related Compounds

N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine
CID 91754085
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
trimethyl-[[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-[(2R,4S,5R,6S)-4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]silane
CID 91750456
1,3,4,5-tetrakis(trimethylsilyloxy)-6-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one
CID 612384
(E,2S,3S,4R)-N,3-dimethoxy-2,4,5-tris(trimethylsilyloxy)pentan-1-imine
CID 20845407
trimethyl-[[(3S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 6427996
trimethyl-[[(2R,3R,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 22211662
trimethyl-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]silane
CID 11038830
[3,4,5-tris(trimethylsilyloxy)-6-[4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methanol
CID 170452869
[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methanamine
CID 141476923
(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
trimethyl-[(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]methoxy]-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 91747556

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[Si](C)(C)OC[C@@H]1O[C@@H](O[C@H]([C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](/C=N/O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H]1O[Si](C)(C)C.
What is the InChIKey of (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?
The InChIKey is KBXQQCBUZUFDIW-IYLBBFBVSA-N. The full InChI is InChI=1S/C54H129NO16Si12/c1-72(2,3)56-38-42-46(65-77(16,17)18)49(62-54-52(70-82(31,32)33)50(68-80(25,26)27)47(66-78(19,20)21)43(60-54)39-57-73(4,5)6)51(69-81(28,29)30)53(59-42)61-45(41(63-75(10,11)12)37-55-71-83(34,35)36)48(67-79(22,23)24)44(64-76(13,14)15)40-58-74(7,8)9/h37,41-54H,38-40H2,1-36H3/b55-37+/t41-,42+,43+,44+,45+,46+,47+,48-,49-,50-,51+,52+,53+,54+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 1385.65 g/mol, XLogP of 14.36, 35 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 136661902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).