(2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium

C41H74N4O18Y — CID 164974505

About (2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium

(2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium (PubChem CID 164974505) has the molecular formula C41H74N4O18Y and a molecular weight of 999.96 g/mol. Its IUPAC name is (2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium.

Molecular Properties

• Compound Name: (2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium
• PubChem CID: 164974505
• Molecular Formula: C41H74N4O18Y
• Molecular Weight: 999.96 g/mol
• Exact Mass: 999.41
• IUPAC Name: (2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium
• SMILES: COC[C@@H]1C[C@@H](OC)CN1C(=O)CCCCCNC(=O)[C@H](CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCOC1OC(CO)C(O)C(O)C1O.[Y]
• InChI: InChI=1S/C41H74N4O18.Y/c1-58-24-25-20-26(59-2)21-45(25)32(50)15-4-3-8-17-43-39(57)27(44-31(49)14-7-11-19-61-41-38(56)36(54)34(52)29(23-47)63-41)12-5-9-16-42-30(48)13-6-10-18-60-40-37(55)35(53)33(51)28(22-46)62-40;/h25-29,33-38,40-41,46-47,51-56H,3-24H2,1-2H3,(H,42,48)(H,43,57)(H,44,49);/t25-,26+,27-,28?,29?,33?,34?,35?,36?,37?,38?,40?,41?;/m0./s1
• InChIKey: DOVITKPYZUQTAD-FGMZOWKASA-N
• XLogP: -3.33
• TPSA: 324.83 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	999.96
LogP ≤ 5	-3.33
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium?

The IUPAC name of (2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium (CID 164974505) is (2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium.

What is the SMILES notation for (2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium?

The canonical SMILES for (2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium is COC[C@@H]1C[C@@H](OC)CN1C(=O)CCCCCNC(=O)[C@H](CCCCNC(=O)CCCCOC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCOC1OC(CO)C(O)C(O)C1O.[Y].

What is the InChIKey of (2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium?

The InChIKey is DOVITKPYZUQTAD-FGMZOWKASA-N. The full InChI is InChI=1S/C41H74N4O18.Y/c1-58-24-25-20-26(59-2)21-45(25)32(50)15-4-3-8-17-43-39(57)27(44-31(49)14-7-11-19-61-41-38(56)36(54)34(52)29(23-47)63-41)12-5-9-16-42-30(48)13-6-10-18-60-40-37(55)35(53)33(51)28(22-46)62-40;/h25-29,33-38,40-41,46-47,51-56H,3-24H2,1-2H3,(H,42,48)(H,43,57)(H,44,49);/t25-,26+,27-,28?,29?,33?,34?,35?,36?,37?,38?,40?,41?;/m0./s1.

What are the key properties of (2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium?

(2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium has a molecular weight of 999.96 g/mol, XLogP of -3.33, 30 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-2,6-bis[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium is sourced from PubChem (CID 164974505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).