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

C51H120O16Si11 — CID 91750414

IUPAC(2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O[C@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OC2O[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](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C51H120O16Si11/c1-68(2,3)53-35-39-42(58-51-49(67-78(31,32)33)47(65-76(25,26)27)45(63-74(19,20)21)40(57-51)36-54-69(4,5)6)46(64-75(22,23)24)48(66-77(28,29)30)50(56-39)59-43(41(61-72(13,14)15)37-55-70(7,8)9)44(62-73(16,17)18)38(34-52)60-71(10,11)12/h34,38-51H,35-37H2,1-33H3/t38-,39+,40+,41+,42+,43?,44+,45+,46-,47-,48+,49+,50+,51?/m0/s1
InChIKeyMIOZSARFNKRSCR-LGFLIGMNSA-N
MW1298.45 g/mol
LogP12.72
Rot. Bonds33

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

(2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal (PubChem CID 91750414) has the molecular formula C51H120O16Si11 and a molecular weight of 1298.45 g/mol. Its IUPAC name is (2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal.

Molecular Properties

Compound Name(2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal
PubChem CID91750414
Molecular FormulaC51H120O16Si11
Molecular Weight1298.45 g/mol
Exact Mass1296.60
IUPAC Name(2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O[C@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OC2O[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](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C51H120O16Si11/c1-68(2,3)53-35-39-42(58-51-49(67-78(31,32)33)47(65-76(25,26)27)45(63-74(19,20)21)40(57-51)36-54-69(4,5)6)46(64-75(22,23)24)48(66-77(28,29)30)50(56-39)59-43(41(61-72(13,14)15)37-55-70(7,8)9)44(62-73(16,17)18)38(34-52)60-71(10,11)12/h34,38-51H,35-37H2,1-33H3/t38-,39+,40+,41+,42+,43?,44+,45+,46-,47-,48+,49+,50+,51?/m0/s1
InChIKeyMIOZSARFNKRSCR-LGFLIGMNSA-N
XLogP12.72
TPSA155.52 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001298.45
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze (2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-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,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal?
The IUPAC name of (2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal (CID 91750414) is (2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal.
What is the SMILES notation for (2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal?
The canonical SMILES for (2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal is C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O[C@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OC2O[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](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C.
What is the InChIKey of (2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal?
The InChIKey is MIOZSARFNKRSCR-LGFLIGMNSA-N. The full InChI is InChI=1S/C51H120O16Si11/c1-68(2,3)53-35-39-42(58-51-49(67-78(31,32)33)47(65-76(25,26)27)45(63-74(19,20)21)40(57-51)36-54-69(4,5)6)46(64-75(22,23)24)48(66-77(28,29)30)50(56-39)59-43(41(61-72(13,14)15)37-55-70(7,8)9)44(62-73(16,17)18)38(34-52)60-71(10,11)12/h34,38-51H,35-37H2,1-33H3/t38-,39+,40+,41+,42+,43?,44+,45+,46-,47-,48+,49+,50+,51?/m0/s1.
What are the key properties of (2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal?
(2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal has a molecular weight of 1298.45 g/mol, XLogP of 12.72, 33 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-4-[(2R,3R,4S,5R,6R)-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrakis(trimethylsilyloxy)hexanal is sourced from PubChem (CID 91750414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).