(4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one

C20H35NO10 — CID 58618515

About (4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one

(4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 58618515) has the molecular formula C20H35NO10 and a molecular weight of 449.50 g/mol. Its IUPAC name is (4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one
• PubChem CID: 58618515
• Molecular Formula: C20H35NO10
• Molecular Weight: 449.50 g/mol
• Exact Mass: 449.23
• IUPAC Name: (4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one
• SMILES: CC(C)C[C@@H]1CC(=O)N(C2CC(O)C(OC3OC(CO)C(O)C(O)C3O)C(CO)O2)C1
• InChI: InChI=1S/C20H35NO10/c1-9(2)3-10-4-14(25)21(6-10)15-5-11(24)19(13(8-23)29-15)31-20-18(28)17(27)16(26)12(7-22)30-20/h9-13,15-20,22-24,26-28H,3-8H2,1-2H3/t10-,11?,12?,13?,15?,16?,17?,18?,19?,20?/m1/s1
• InChIKey: ZZWALDBPOWTISC-RQKWFQBWSA-N
• XLogP: -2.47
• TPSA: 169.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.50
LogP ≤ 5	-2.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one?

The IUPAC name of (4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one (CID 58618515) is (4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one.

What is the SMILES notation for (4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one?

The canonical SMILES for (4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one is CC(C)C[C@@H]1CC(=O)N(C2CC(O)C(OC3OC(CO)C(O)C(O)C3O)C(CO)O2)C1.

What is the InChIKey of (4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one?

The InChIKey is ZZWALDBPOWTISC-RQKWFQBWSA-N. The full InChI is InChI=1S/C20H35NO10/c1-9(2)3-10-4-14(25)21(6-10)15-5-11(24)19(13(8-23)29-15)31-20-18(28)17(27)16(26)12(7-22)30-20/h9-13,15-20,22-24,26-28H,3-8H2,1-2H3/t10-,11?,12?,13?,15?,16?,17?,18?,19?,20?/m1/s1.

What are the key properties of (4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one?

(4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 449.50 g/mol, XLogP of -2.47, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-[4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 58618515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).