[(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate

C86H176N3O17PSi7 — CID 10820418

About [(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate

[(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate (PubChem CID 10820418) has the molecular formula C86H176N3O17PSi7 and a molecular weight of 1751.93 g/mol. Its IUPAC name is [(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate
• PubChem CID: 10820418
• Molecular Formula: C86H176N3O17PSi7
• Molecular Weight: 1751.93 g/mol
• Exact Mass: 1750.11
• IUPAC Name: [(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate
• SMILES: CC[Si](CC)(O[C@H]([C@@H](COC)N(C)C)[C@@H](O[Si](CC)(CC)C(C)C)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](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COC(=O)C(C)(C)C)OC)[C@@H](OP(=O)(OCC[Si](C)(C)C)OCC[Si](C)(C)C)C3(C)C)co1)C(C)C
• InChI: InChI=1S/C86H176N3O17PSi7/c1-43-113(44-2,61(5)6)105-74(68(60-93-29)89(27)28)76(106-114(45-3,46-4)62(7)8)78(90)87-51-50-63(9)79-88-67(59-95-79)48-47-49-69-65(11)72(103-111(39,40)83(19,20)21)57-86(99-69)85(25,26)77(101-107(92,97-52-54-108(31,32)33)98-53-55-109(34,35)36)75(100-86)71(94-30)56-70(102-110(37,38)82(16,17)18)66(12)73(104-112(41,42)84(22,23)24)64(10)58-96-80(91)81(13,14)15/h47-48,59,61-66,68-77H,43-46,49-58,60H2,1-42H3,(H,87,90)/b48-47+/t63-,64+,65+,66-,68-,69-,70-,71-,72+,73+,74-,75+,76-,77-,86+/m1/s1
• InChIKey: IBNHVRGZBJHMGV-VHJBNFMGSA-N
• XLogP: 23.01
• TPSA: 212.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 48
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.93
LogP ≤ 5	23.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

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 [(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate?

The IUPAC name of [(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate (CID 10820418) is [(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate is CC[Si](CC)(O[C@H]([C@@H](COC)N(C)C)[C@@H](O[Si](CC)(CC)C(C)C)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](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)COC(=O)C(C)(C)C)OC)[C@@H](OP(=O)(OCC[Si](C)(C)C)OCC[Si](C)(C)C)C3(C)C)co1)C(C)C.

What is the InChIKey of [(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate?

The InChIKey is IBNHVRGZBJHMGV-VHJBNFMGSA-N. The full InChI is InChI=1S/C86H176N3O17PSi7/c1-43-113(44-2,61(5)6)105-74(68(60-93-29)89(27)28)76(106-114(45-3,46-4)62(7)8)78(90)87-51-50-63(9)79-88-67(59-95-79)48-47-49-69-65(11)72(103-111(39,40)83(19,20)21)57-86(99-69)85(25,26)77(101-107(92,97-52-54-108(31,32)33)98-53-55-109(34,35)36)75(100-86)71(94-30)56-70(102-110(37,38)82(16,17)18)66(12)73(104-112(41,42)84(22,23)24)64(10)58-96-80(91)81(13,14)15/h47-48,59,61-66,68-77H,43-46,49-58,60H2,1-42H3,(H,87,90)/b48-47+/t63-,64+,65+,66-,68-,69-,70-,71-,72+,73+,74-,75+,76-,77-,86+/m1/s1.

What are the key properties of [(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate?

[(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate has a molecular weight of 1751.93 g/mol, XLogP of 23.01, 48 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3S,4R,5R,7R)-7-[(2S,3S,5S,7S,8S,9R)-9-[(E)-3-[2-[(2R)-4-[[(2R,3R,4R)-2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10820418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).