[(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate

C51H102O11Si2Sn — CID 11400512

About [(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate

[(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate (PubChem CID 11400512) has the molecular formula C51H102O11Si2Sn and a molecular weight of 1066.25 g/mol. Its IUPAC name is [(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate.

Molecular Properties

• Compound Name: [(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate
• PubChem CID: 11400512
• Molecular Formula: C51H102O11Si2Sn
• Molecular Weight: 1066.25 g/mol
• Exact Mass: 1066.60
• IUPAC Name: [(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate
• SMILES: CCCC[Sn](CCCC)(CCCC)/C(C)=C/CC[C@H](O)[C@H](C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]1(OC)O[C@H](C[C@H](COC)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)OC
• InChI: InChI=1S/C39H75O11Si2.3C4H9.Sn/c1-19-20-21-22-31(42)33(44-13)24-34(46-28(4)40)36(47-29(5)41)39(45-14)27(3)35(50-52(17,18)38(9,10)11)26(2)32(48-39)23-30(25-43-12)49-51(15,16)37(6,7)8;3*1-3-4-2;/h20,26-27,30-36,42H,21-25H2,1-18H3;3*1,3-4H2,2H3;/t26-,27+,30+,31-,32+,33-,34-,35-,36+,39+;;;;/m0..../s1
• InChIKey: BZPSZOIVTDNJOW-GWXFCQAHSA-N
• XLogP: 12.56
• TPSA: 128.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 30
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1066.25
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate?

The IUPAC name of [(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate (CID 11400512) is [(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate.

What is the SMILES notation for [(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate?

The canonical SMILES for [(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate is CCCC[Sn](CCCC)(CCCC)/C(C)=C/CC[C@H](O)[C@H](C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]1(OC)O[C@H](C[C@H](COC)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)OC.

What is the InChIKey of [(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate?

The InChIKey is BZPSZOIVTDNJOW-GWXFCQAHSA-N. The full InChI is InChI=1S/C39H75O11Si2.3C4H9.Sn/c1-19-20-21-22-31(42)33(44-13)24-34(46-28(4)40)36(47-29(5)41)39(45-14)27(3)35(50-52(17,18)38(9,10)11)26(2)32(48-39)23-30(25-43-12)49-51(15,16)37(6,7)8;3*1-3-4-2;/h20,26-27,30-36,42H,21-25H2,1-18H3;3*1,3-4H2,2H3;/t26-,27+,30+,31-,32+,33-,34-,35-,36+,39+;;;;/m0..../s1.

What are the key properties of [(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate?

[(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate has a molecular weight of 1066.25 g/mol, XLogP of 12.56, 30 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(E,1R,2S,4S,5S)-1-acetyloxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-5-hydroxy-4-methoxy-9-tributylstannyldec-8-en-2-yl] acetate is sourced from PubChem (CID 11400512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).