(3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one

C35H84O11Si8 — CID 91747577

IUPAC(3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one
SMILESC[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](OC1O[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](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C35H84O11Si8/c1-47(2,3)37-25-27(36)29(42-50(10,11)12)30(28(41-49(7,8)9)26-38-48(4,5)6)39-34-32(44-52(16,17)18)31(43-51(13,14)15)33(45-53(19,20)21)35(40-34)46-54(22,23)24/h28-35H,25-26H2,1-24H3/t28-,29+,30-,31-,32-,33+,34?,35-/m1/s1
InChIKeyHAMCZNSCSJBQPU-CAUHRGFPSA-N
MW905.73 g/mol
LogP9.28
Rot. Bonds23

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

(3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one (PubChem CID 91747577) has the molecular formula C35H84O11Si8 and a molecular weight of 905.73 g/mol. Its IUPAC name is (3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one.

Molecular Properties

Compound Name(3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one
PubChem CID91747577
Molecular FormulaC35H84O11Si8
Molecular Weight905.73 g/mol
Exact Mass904.42
IUPAC Name(3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one
SMILESC[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](OC1O[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](CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C35H84O11Si8/c1-47(2,3)37-25-27(36)29(42-50(10,11)12)30(28(41-49(7,8)9)26-38-48(4,5)6)39-34-32(44-52(16,17)18)31(43-51(13,14)15)33(45-53(19,20)21)35(40-34)46-54(22,23)24/h28-35H,25-26H2,1-24H3/t28-,29+,30-,31-,32-,33+,34?,35-/m1/s1
InChIKeyHAMCZNSCSJBQPU-CAUHRGFPSA-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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one?
The IUPAC name of (3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one (CID 91747577) is (3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one.
What is the SMILES notation for (3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one?
The canonical SMILES for (3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one is C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](OC1O[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](CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one?
The InChIKey is HAMCZNSCSJBQPU-CAUHRGFPSA-N. The full InChI is InChI=1S/C35H84O11Si8/c1-47(2,3)37-25-27(36)29(42-50(10,11)12)30(28(41-49(7,8)9)26-38-48(4,5)6)39-34-32(44-52(16,17)18)31(43-51(13,14)15)33(45-53(19,20)21)35(40-34)46-54(22,23)24/h28-35H,25-26H2,1-24H3/t28-,29+,30-,31-,32-,33+,34?,35-/m1/s1.
What are the key properties of (3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one?
(3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one 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 (3R,4R,5R)-4-[(3R,4R,5S,6R)-3,4,5,6-tetrakis(trimethylsilyloxy)oxan-2-yl]oxy-1,3,5,6-tetrakis(trimethylsilyloxy)hexan-2-one is sourced from PubChem (CID 91747577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).