(3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one

C36H86O11Si8 — CID 22296522

IUPAC(3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one
SMILESC[Si](C)(C)OCC(=O)[C@@H](O[C@H]1O[C@H](CO[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](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C36H86O11Si8/c1-48(2,3)38-25-28(37)31(33(45-53(16,17)18)30(43-51(10,11)12)27-40-50(7,8)9)42-36-35(47-55(22,23)24)34(46-54(19,20)21)32(44-52(13,14)15)29(41-36)26-39-49(4,5)6/h29-36H,25-27H2,1-24H3/t29-,30-,31-,32-,33-,34+,35-,36-/m1/s1
InChIKeySXVUULOQAIHSTD-PZIMYZQQSA-N
MW919.76 g/mol
LogP9.32
Rot. Bonds24

About (3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one

(3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one (PubChem CID 22296522) has the molecular formula C36H86O11Si8 and a molecular weight of 919.76 g/mol. Its IUPAC name is (3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one.

Molecular Properties

Compound Name(3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one
PubChem CID22296522
Molecular FormulaC36H86O11Si8
Molecular Weight919.76 g/mol
Exact Mass918.43
IUPAC Name(3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one
SMILESC[Si](C)(C)OCC(=O)[C@@H](O[C@H]1O[C@H](CO[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](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C36H86O11Si8/c1-48(2,3)38-25-28(37)31(33(45-53(16,17)18)30(43-51(10,11)12)27-40-50(7,8)9)42-36-35(47-55(22,23)24)34(46-54(19,20)21)32(44-52(13,14)15)29(41-36)26-39-49(4,5)6/h29-36H,25-27H2,1-24H3/t29-,30-,31-,32-,33-,34+,35-,36-/m1/s1
InChIKeySXVUULOQAIHSTD-PZIMYZQQSA-N
XLogP9.32
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
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': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one?
The IUPAC name of (3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one (CID 22296522) is (3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one.
What is the SMILES notation for (3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one?
The canonical SMILES for (3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one is C[Si](C)(C)OCC(=O)[C@@H](O[C@H]1O[C@H](CO[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](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one?
The InChIKey is SXVUULOQAIHSTD-PZIMYZQQSA-N. The full InChI is InChI=1S/C36H86O11Si8/c1-48(2,3)38-25-28(37)31(33(45-53(16,17)18)30(43-51(10,11)12)27-40-50(7,8)9)42-36-35(47-55(22,23)24)34(46-54(19,20)21)32(44-52(13,14)15)29(41-36)26-39-49(4,5)6/h29-36H,25-27H2,1-24H3/t29-,30-,31-,32-,33-,34+,35-,36-/m1/s1.
What are the key properties of (3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one?
(3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one has a molecular weight of 919.76 g/mol, XLogP of 9.32, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-1,4,5,6-tetrakis(trimethylsilyloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-one is sourced from PubChem (CID 22296522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).