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

C35H84O11Si8 — CID 91749909

IUPAC(2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[C@@H]1O[C@H](O[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@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C35H84O11Si8/c1-47(2,3)37-26-28(41-49(7,8)9)30(42-50(10,11)12)29(27(25-36)40-48(4,5)6)38-34-32(44-52(16,17)18)31(43-51(13,14)15)33(45-53(19,20)21)35(39-34)46-54(22,23)24/h25,27-35H,26H2,1-24H3/t27-,28+,29?,30+,31+,32+,33-,34+,35+/m0/s1
InChIKeyPRJJYMSJSSSVEM-MKRNVPDNSA-N
MW905.73 g/mol
LogP9.28
Rot. Bonds23

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

(2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal (PubChem CID 91749909) has the molecular formula C35H84O11Si8 and a molecular weight of 905.73 g/mol. Its IUPAC name is (2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal.

Molecular Properties

Compound Name(2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal
PubChem CID91749909
Molecular FormulaC35H84O11Si8
Molecular Weight905.73 g/mol
Exact Mass904.42
IUPAC Name(2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[C@@H]1O[C@H](O[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@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C35H84O11Si8/c1-47(2,3)37-26-28(41-49(7,8)9)30(42-50(10,11)12)29(27(25-36)40-48(4,5)6)38-34-32(44-52(16,17)18)31(43-51(13,14)15)33(45-53(19,20)21)35(39-34)46-54(22,23)24/h25,27-35H,26H2,1-24H3/t27-,28+,29?,30+,31+,32+,33-,34+,35+/m0/s1
InChIKeyPRJJYMSJSSSVEM-MKRNVPDNSA-N
XLogP9.28
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.73
LogP ≤ 59.28
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal?
The IUPAC name of (2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal (CID 91749909) is (2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal.
What is the SMILES notation for (2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal?
The canonical SMILES for (2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal is C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[C@@H]1O[C@H](O[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@H](C=O)O[Si](C)(C)C.
What is the InChIKey of (2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal?
The InChIKey is PRJJYMSJSSSVEM-MKRNVPDNSA-N. The full InChI is InChI=1S/C35H84O11Si8/c1-47(2,3)37-26-28(41-49(7,8)9)30(42-50(10,11)12)29(27(25-36)40-48(4,5)6)38-34-32(44-52(16,17)18)31(43-51(13,14)15)33(45-53(19,20)21)35(39-34)46-54(22,23)24/h25,27-35H,26H2,1-24H3/t27-,28+,29?,30+,31+,32+,33-,34+,35+/m0/s1.
What are the key properties of (2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal?
(2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal has a molecular weight of 905.73 g/mol, XLogP of 9.28, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-3-[(2R,3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-2,4,5,6-tetrakis(trimethylsilyloxy)hexanal is sourced from PubChem (CID 91749909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).