N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium

About N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium (PubChem CID 159713501) has the molecular formula C19H34N2O9Y and a molecular weight of 523.39 g/mol. Its IUPAC name is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium.

Molecular Properties

Compound Name	N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium
PubChem CID	159713501
Molecular Formula	C19H34N2O9Y
Molecular Weight	523.39 g/mol
Exact Mass	523.13
IUPAC Name	N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium
SMILES	CO[C@@H]1C[C@@H](CO)N(C(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)C1.[Y]
InChI	InChI=1S/C19H34N2O9.Y/c1-11(24)20-16-18(27)17(26)14(10-23)30-19(16)29-6-4-3-5-15(25)21-8-13(28-2)7-12(21)9-22;/h12-14,16-19,22-23,26-27H,3-10H2,1-2H3,(H,20,24);/t12-,13+,14?,16?,17?,18?,19?;/m0./s1
InChIKey	YTUFUSGMDFNNJO-QHRFPUJFSA-N
XLogP	-2.28
TPSA	158.02 Å²
H-Bond Donors	5
H-Bond Acceptors	9
Rotatable Bonds	10
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.39
LogP ≤ 5	-2.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium?

The IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium (CID 159713501) is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium.

What is the SMILES notation for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium?

The canonical SMILES for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium is CO[C@@H]1C[C@@H](CO)N(C(=O)CCCCOC2OC(CO)C(O)C(O)C2NC(C)=O)C1.[Y].

What is the InChIKey of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium?

The InChIKey is YTUFUSGMDFNNJO-QHRFPUJFSA-N. The full InChI is InChI=1S/C19H34N2O9.Y/c1-11(24)20-16-18(27)17(26)14(10-23)30-19(16)29-6-4-3-5-15(25)21-8-13(28-2)7-12(21)9-22;/h12-14,16-19,22-23,26-27H,3-10H2,1-2H3,(H,20,24);/t12-,13+,14?,16?,17?,18?,19?;/m0./s1.

What are the key properties of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium?

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium has a molecular weight of 523.39 g/mol, XLogP of -2.28, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-5-oxopentoxy]oxan-3-yl]acetamide;yttrium is sourced from PubChem (CID 159713501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).