[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium

C92H164N4O31S2Y — CID 147883715

About [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium

[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium (PubChem CID 147883715) has the molecular formula C92H164N4O31S2Y and a molecular weight of 1975.36 g/mol. Its IUPAC name is [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium.

Molecular Properties

• Compound Name: [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium
• PubChem CID: 147883715
• Molecular Formula: C92H164N4O31S2Y
• Molecular Weight: 1975.36 g/mol
• Exact Mass: 1973.99
• IUPAC Name: [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium
• SMILES: CO[C@H]1C[C@H](CO)N(C(=O)CCCCC(=O)CCC(C)(C)SSCCOCCOCCC(=O)CC(CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)(CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)CCCOC(=O)NCCCCCCCC(=O)CCCOC2OC(CO)C(O)C(O)C2C)C1.[Y]
• InChI: InChI=1S/C92H164N4O31S2.Y/c1-65-81(109)84(112)73(62-98)125-87(65)121-47-24-32-69(101)30-16-10-7-15-23-46-95-90(115)124-52-29-42-92(40-27-50-119-79(107)36-17-11-8-13-21-44-93-76(104)33-25-48-122-88-66(2)82(110)85(113)74(63-99)126-88,41-28-51-120-80(108)37-18-12-9-14-22-45-94-77(105)34-26-49-123-89-67(3)83(111)86(114)75(64-100)127-89)59-71(103)39-53-117-54-55-118-56-57-128-129-91(4,5)43-38-70(102)31-19-20-35-78(106)96-60-72(116-6)58-68(96)61-97;/h65-68,72-75,81-89,97-100,109-114H,7-64H2,1-6H3,(H,93,104)(H,94,105)(H,95,115);/t65?,66?,67?,68-,72+,73?,74?,75?,81?,82?,83?,84?,85?,86?,87?,88?,89?,92?;/m1./s1
• InChIKey: QEOGTRQUYVWNCT-BPPHGTQOSA-N
• XLogP: 7.62
• TPSA: 506.02 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 77
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1975.36
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium?

The IUPAC name of [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium (CID 147883715) is [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium.

What is the SMILES notation for [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium?

The canonical SMILES for [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium is CO[C@H]1C[C@H](CO)N(C(=O)CCCCC(=O)CCC(C)(C)SSCCOCCOCCC(=O)CC(CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)(CCCOC(=O)CCCCCCCNC(=O)CCCOC2OC(CO)C(O)C(O)C2C)CCCOC(=O)NCCCCCCCC(=O)CCCOC2OC(CO)C(O)C(O)C2C)C1.[Y].

What is the InChIKey of [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium?

The InChIKey is QEOGTRQUYVWNCT-BPPHGTQOSA-N. The full InChI is InChI=1S/C92H164N4O31S2.Y/c1-65-81(109)84(112)73(62-98)125-87(65)121-47-24-32-69(101)30-16-10-7-15-23-46-95-90(115)124-52-29-42-92(40-27-50-119-79(107)36-17-11-8-13-21-44-93-76(104)33-25-48-122-88-66(2)82(110)85(113)74(63-99)126-88,41-28-51-120-80(108)37-18-12-9-14-22-45-94-77(105)34-26-49-123-89-67(3)83(111)86(114)75(64-100)127-89)59-71(103)39-53-117-54-55-118-56-57-128-129-91(4,5)43-38-70(102)31-19-20-35-78(106)96-60-72(116-6)58-68(96)61-97;/h65-68,72-75,81-89,97-100,109-114H,7-64H2,1-6H3,(H,93,104)(H,94,105)(H,95,115);/t65?,66?,67?,68-,72+,73?,74?,75?,81?,82?,83?,84?,85?,86?,87?,88?,89?,92?;/m1./s1.

What are the key properties of [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium?

[4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium has a molecular weight of 1975.36 g/mol, XLogP of 7.62, 77 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoyloxy]propyl]-4-[3-[[11-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8-oxoundecyl]carbamoyloxy]propyl]-8-[2-[2-[[10-[(2R,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-methyl-5,10-dioxodecan-2-yl]disulfanyl]ethoxy]ethoxy]-6-oxooctyl] 8-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxybutanoylamino]octanoate;yttrium is sourced from PubChem (CID 147883715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).