[(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate

C70H140N3O16PSi5 — CID 11768456

About [(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate

[(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate (PubChem CID 11768456) has the molecular formula C70H140N3O16PSi5 and a molecular weight of 1451.30 g/mol. Its IUPAC name is [(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate.

Molecular Properties

• Compound Name: [(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate
• PubChem CID: 11768456
• Molecular Formula: C70H140N3O16PSi5
• Molecular Weight: 1451.30 g/mol
• Exact Mass: 1449.88
• IUPAC Name: [(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate
• SMILES: CC[Si](CC)(CC)O[C@H]([C@H](O[Si](CC)(CC)CC)C(=O)NCC[C@H](C)c1nc(/C=C/C[C@@H]2O[C@@]3(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C)O[C@H]([C@H](C[C@@H]2OC(C)(C)O[C@H]([C@H](C)CO)[C@H]2C)OC)[C@H](OP(=O)(OCC[Si](C)(C)C)OCC[Si](C)(C)C)C3(C)C)co1)[C@H](COC)N(C)C
• InChI: InChI=1S/C70H140N3O16PSi5/c1-30-94(31-2,32-3)88-61(55(49-77-20)73(18)19)63(89-95(33-4,34-5)35-6)65(75)71-40-39-50(7)66-72-54(48-79-66)37-36-38-56-52(9)59(87-93(28,29)67(11,12)13)46-70(83-56)68(14,15)64(86-90(76,80-41-43-91(22,23)24)81-42-44-92(25,26)27)62(85-70)58(78-21)45-57-53(10)60(51(8)47-74)84-69(16,17)82-57/h36-37,48,50-53,55-64,74H,30-35,38-47,49H2,1-29H3,(H,71,75)/b37-36+/t50-,51+,52+,53-,55-,56-,57-,58-,59+,60+,61-,62+,63-,64-,70-/m0/s1
• InChIKey: RVEZUXJOJHLRKP-XWZXQFJHSA-N
• XLogP: 16.37
• TPSA: 206.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 41
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1451.30
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate?

The IUPAC name of [(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate (CID 11768456) is [(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate.

What is the SMILES notation for [(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate?

The canonical SMILES for [(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate is CC[Si](CC)(CC)O[C@H]([C@H](O[Si](CC)(CC)CC)C(=O)NCC[C@H](C)c1nc(/C=C/C[C@@H]2O[C@@]3(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C)O[C@H]([C@H](C[C@@H]2OC(C)(C)O[C@H]([C@H](C)CO)[C@H]2C)OC)[C@H](OP(=O)(OCC[Si](C)(C)C)OCC[Si](C)(C)C)C3(C)C)co1)[C@H](COC)N(C)C.

What is the InChIKey of [(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate?

The InChIKey is RVEZUXJOJHLRKP-XWZXQFJHSA-N. The full InChI is InChI=1S/C70H140N3O16PSi5/c1-30-94(31-2,32-3)88-61(55(49-77-20)73(18)19)63(89-95(33-4,34-5)35-6)65(75)71-40-39-50(7)66-72-54(48-79-66)37-36-38-56-52(9)59(87-93(28,29)67(11,12)13)46-70(83-56)68(14,15)64(86-90(76,80-41-43-91(22,23)24)81-42-44-92(25,26)27)62(85-70)58(78-21)45-57-53(10)60(51(8)47-74)84-69(16,17)82-57/h36-37,48,50-53,55-64,74H,30-35,38-47,49H2,1-29H3,(H,71,75)/b37-36+/t50-,51+,52+,53-,55-,56-,57-,58-,59+,60+,61-,62+,63-,64-,70-/m0/s1.

What are the key properties of [(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate?

[(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate has a molecular weight of 1451.30 g/mol, XLogP of 16.37, 41 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,5S,7R,8R,9S)-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-5-methoxy-2,3-bis(triethylsilyloxy)pentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-2-[(1S)-2-[(4S,5S,6R)-6-[(2R)-1-hydroxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-methoxyethyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis(2-trimethylsilylethyl) phosphate is sourced from PubChem (CID 11768456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).