(2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide

C32H55N5O8 — CID 46221414

About (2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide

(2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide (PubChem CID 46221414) has the molecular formula C32H55N5O8 and a molecular weight of 637.82 g/mol. Its IUPAC name is (2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide
• PubChem CID: 46221414
• Molecular Formula: C32H55N5O8
• Molecular Weight: 637.82 g/mol
• Exact Mass: 637.41
• IUPAC Name: (2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide
• SMILES: CCCCCCCCCCCCCCCCNC(=O)[C@@H]1[C@@H]([C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CCN)N1C(C)=O
• InChI: InChI=1S/C32H55N5O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-34-30(42)25-28(44-24(17-19-33)37(25)22(2)38)29-26(40)27(41)31(45-29)36-21-18-23(39)35-32(36)43/h18,21,24-29,31,40-41H,3-17,19-20,33H2,1-2H3,(H,34,42)(H,35,39,43)/t24-,25+,26+,27-,28+,29+,31-/m1/s1
• InChIKey: MXUMCATYVMHMRE-HUPXKUDWSA-N
• XLogP: 2.04
• TPSA: 189.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.82
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide?

The IUPAC name of (2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide (CID 46221414) is (2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for (2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for (2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide is CCCCCCCCCCCCCCCCNC(=O)[C@@H]1[C@@H]([C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CCN)N1C(C)=O.

What is the InChIKey of (2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide?

The InChIKey is MXUMCATYVMHMRE-HUPXKUDWSA-N. The full InChI is InChI=1S/C32H55N5O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-34-30(42)25-28(44-24(17-19-33)37(25)22(2)38)29-26(40)27(41)31(45-29)36-21-18-23(39)35-32(36)43/h18,21,24-29,31,40-41H,3-17,19-20,33H2,1-2H3,(H,34,42)(H,35,39,43)/t24-,25+,26+,27-,28+,29+,31-/m1/s1.

What are the key properties of (2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide?

(2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide has a molecular weight of 637.82 g/mol, XLogP of 2.04, 20 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5S)-3-acetyl-2-(2-aminoethyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-hexadecyl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46221414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).