N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide

C81H144N8O37P2 — CID 160848642

About N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide

N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide (PubChem CID 160848642) has the molecular formula C81H144N8O37P2 and a molecular weight of 1884.01 g/mol. Its IUPAC name is N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide
• PubChem CID: 160848642
• Molecular Formula: C81H144N8O37P2
• Molecular Weight: 1884.01 g/mol
• Exact Mass: 1882.91
• IUPAC Name: N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide
• SMILES: CC[C@@H]1C[C@@H](O[P+](C)([O-])OC[C@@H]2C[C@@H](O[P+](C)([O-])OC[C@@H]3C[C@@H](OC(C)(C)C)CN3C(=O)CCCCOC3OC(CO)C(O)C(O)C3NC(C)=O)CN2C(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)CN1C(=O)CCCCOC1OC(CO)C(O)C(O)C1NC(C)=O.COC[C@@H]1C[C@@H](OC)CN1C(=O)CCCCOC1OC(CO)C(O)C(O)C1NC(C)=O
• InChI: InChI=1S/C61H108N6O28P2.C20H36N2O9/c1-10-37-23-41(27-65(37)46(74)17-11-14-20-85-58-49(62-34(2)71)55(80)52(77)43(29-68)90-58)94-96(8,83)89-33-39-25-42(28-67(39)48(76)19-13-16-22-87-60-51(64-36(4)73)57(82)54(79)45(31-70)92-60)95-97(9,84)88-32-38-24-40(93-61(5,6)7)26-66(38)47(75)18-12-15-21-86-59-50(63-35(3)72)56(81)53(78)44(30-69)91-59;1-12(24)21-17-19(27)18(26)15(10-23)31-20(17)30-7-5-4-6-16(25)22-9-14(29-3)8-13(22)11-28-2/h37-45,49-60,68-70,77-82H,10-33H2,1-9H3,(H,62,71)(H,63,72)(H,64,73);13-15,17-20,23,26-27H,4-11H2,1-3H3,(H,21,24)/t37-,38+,39+,40-,41-,42-,43?,44?,45?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,96?,97?;13-,14+,15?,17?,18?,19?,20?/m10/s1
• InChIKey: BHGSHFWMYOYQBU-JXBVXAEOSA-N
• XLogP: -5.54
• TPSA: 624.97 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 37
• Rotatable Bonds: 47
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1884.01
LogP ≤ 5	-5.54
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide?

The IUPAC name of N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide (CID 160848642) is N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide.

What is the SMILES notation for N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide?

The canonical SMILES for N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide is CC[C@@H]1C[C@@H](O[P+](C)([O-])OC[C@@H]2C[C@@H](O[P+](C)([O-])OC[C@@H]3C[C@@H](OC(C)(C)C)CN3C(=O)CCCCOC3OC(CO)C(O)C(O)C3NC(C)=O)CN2C(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)CN1C(=O)CCCCOC1OC(CO)C(O)C(O)C1NC(C)=O.COC[C@@H]1C[C@@H](OC)CN1C(=O)CCCCOC1OC(CO)C(O)C(O)C1NC(C)=O.

What is the InChIKey of N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide?

The InChIKey is BHGSHFWMYOYQBU-JXBVXAEOSA-N. The full InChI is InChI=1S/C61H108N6O28P2.C20H36N2O9/c1-10-37-23-41(27-65(37)46(74)17-11-14-20-85-58-49(62-34(2)71)55(80)52(77)43(29-68)90-58)94-96(8,83)89-33-39-25-42(28-67(39)48(76)19-13-16-22-87-60-51(64-36(4)73)57(82)54(79)45(31-70)92-60)95-97(9,84)88-32-38-24-40(93-61(5,6)7)26-66(38)47(75)18-12-15-21-86-59-50(63-35(3)72)56(81)53(78)44(30-69)91-59;1-12(24)21-17-19(27)18(26)15(10-23)31-20(17)30-7-5-4-6-16(25)22-9-14(29-3)8-13(22)11-28-2/h37-45,49-60,68-70,77-82H,10-33H2,1-9H3,(H,62,71)(H,63,72)(H,64,73);13-15,17-20,23,26-27H,4-11H2,1-3H3,(H,21,24)/t37-,38+,39+,40-,41-,42-,43?,44?,45?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,96?,97?;13-,14+,15?,17?,18?,19?,20?/m10/s1.

What are the key properties of N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide?

N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide has a molecular weight of 1884.01 g/mol, XLogP of -5.54, 47 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[(2R,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxypyrrolidin-2-yl]methoxy-methyl-oxidophosphaniumyl]oxy-2-ethylpyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide is sourced from PubChem (CID 160848642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).