(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate

C97H202O19Si8 — CID 160533727

About (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate

(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate (PubChem CID 160533727) has the molecular formula C97H202O19Si8 and a molecular weight of 1897.35 g/mol. Its IUPAC name is (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate.

Molecular Properties

• Compound Name: (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate
• PubChem CID: 160533727
• Molecular Formula: C97H202O19Si8
• Molecular Weight: 1897.35 g/mol
• Exact Mass: 1895.30
• IUPAC Name: (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate
• SMILES: CC[C@H](C)[C@H](C[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)OC(=O)C[C@H](C[C@H](O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C)[C@@H](C)CC)O[Si](C)(C)C(C)(C)C.CC[C@H](C)[C@H](C[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C)OC(=O)C[C@H](C[C@H](O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C)[C@@H](C)CC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C49H102O9Si4.C48H100O10Si4/c1-27-34(3)40(30-38(29-36(5)50)56-60(21,22)47(10,11)12)53-43(51)32-39(57-61(23,24)48(13,14)15)31-41(35(4)28-2)54-45-37(6)44(58-62(25,26)49(16,17)18)42(55-45)33-52-59(19,20)46(7,8)9;1-26-33(3)38(28-36(30-41(49)50)56-60(20,21)46(9,10)11)53-42(51)31-37(57-61(22,23)47(12,13)14)29-39(34(4)27-2)54-44-35(5)43(58-62(24,25)48(15,16)17)40(55-44)32-52-59(18,19)45(6,7)8/h34-35,37-42,44-45H,27-33H2,1-26H3;33-40,43-44H,26-32H2,1-25H3,(H,49,50)/t34-,35-,37?,38+,39-,40-,41-,42-,44?,45+;33-,34-,35?,36-,37-,38-,39-,40-,43?,44+/m00/s1
• InChIKey: QVWPTXZXYFRXIK-HRVFGKCESA-N
• XLogP: 27.65
• TPSA: 217.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 48
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1897.35
LogP ≤ 5	27.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate?

The IUPAC name of (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate (CID 160533727) is (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate.

What is the SMILES notation for (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate?

The canonical SMILES for (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate is CC[C@H](C)[C@H](C[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)OC(=O)C[C@H](C[C@H](O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C)[C@@H](C)CC)O[Si](C)(C)C(C)(C)C.CC[C@H](C)[C@H](C[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C)OC(=O)C[C@H](C[C@H](O[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1C)[C@@H](C)CC)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate?

The InChIKey is QVWPTXZXYFRXIK-HRVFGKCESA-N. The full InChI is InChI=1S/C49H102O9Si4.C48H100O10Si4/c1-27-34(3)40(30-38(29-36(5)50)56-60(21,22)47(10,11)12)53-43(51)32-39(57-61(23,24)48(13,14)15)31-41(35(4)28-2)54-45-37(6)44(58-62(25,26)49(16,17)18)42(55-45)33-52-59(19,20)46(7,8)9;1-26-33(3)38(28-36(30-41(49)50)56-60(20,21)46(9,10)11)53-42(51)31-37(57-61(22,23)47(12,13)14)29-39(34(4)27-2)54-44-35(5)43(58-62(24,25)48(15,16)17)40(55-44)32-52-59(18,19)45(6,7)8/h34-35,37-42,44-45H,27-33H2,1-26H3;33-40,43-44H,26-32H2,1-25H3,(H,49,50)/t34-,35-,37?,38+,39-,40-,41-,42-,44?,45+;33-,34-,35?,36-,37-,38-,39-,40-,43?,44+/m00/s1.

What are the key properties of (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate?

(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate has a molecular weight of 1897.35 g/mol, XLogP of 27.65, 48 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoyl]oxy-6-methyloctanoic acid;[(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxononan-4-yl] (3S,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(2R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]oxy-6-methyloctanoate is sourced from PubChem (CID 160533727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).