(2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol

C42H90O9Si5 — CID 10909112

IUPAC(2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C=CO[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C42H90O9Si5/c1-38(2,3)52(16,17)45-28-31-34(30(26-27-44-31)49-54(20,21)40(7,8)9)48-37-36(51-56(24,25)42(13,14)15)33(43)35(50-55(22,23)41(10,11)12)32(47-37)29-46-53(18,19)39(4,5)6/h26-27,30-37,43H,28-29H2,1-25H3/t30-,31-,32-,33+,34+,35+,36-,37+/m1/s1
InChIKeyOYXYQDFXJQUGJU-IBLIVAKXSA-N
MW879.60 g/mol
LogP11.58
Rot. Bonds14

About (2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol

(2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol (PubChem CID 10909112) has the molecular formula C42H90O9Si5 and a molecular weight of 879.60 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol
PubChem CID10909112
Molecular FormulaC42H90O9Si5
Molecular Weight879.60 g/mol
Exact Mass878.54
IUPAC Name(2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C=CO[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C42H90O9Si5/c1-38(2,3)52(16,17)45-28-31-34(30(26-27-44-31)49-54(20,21)40(7,8)9)48-37-36(51-56(24,25)42(13,14)15)33(43)35(50-55(22,23)41(10,11)12)32(47-37)29-46-53(18,19)39(4,5)6/h26-27,30-37,43H,28-29H2,1-25H3/t30-,31-,32-,33+,34+,35+,36-,37+/m1/s1
InChIKeyOYXYQDFXJQUGJU-IBLIVAKXSA-N
XLogP11.58
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.60
LogP ≤ 511.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol?
The IUPAC name of (2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol (CID 10909112) is (2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol?
The canonical SMILES for (2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C=CO[C@@H]2CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol?
The InChIKey is OYXYQDFXJQUGJU-IBLIVAKXSA-N. The full InChI is InChI=1S/C42H90O9Si5/c1-38(2,3)52(16,17)45-28-31-34(30(26-27-44-31)49-54(20,21)40(7,8)9)48-37-36(51-56(24,25)42(13,14)15)33(43)35(50-55(22,23)41(10,11)12)32(47-37)29-46-53(18,19)39(4,5)6/h26-27,30-37,43H,28-29H2,1-25H3/t30-,31-,32-,33+,34+,35+,36-,37+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol?
(2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol has a molecular weight of 879.60 g/mol, XLogP of 11.58, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol is sourced from PubChem (CID 10909112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).