(2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide

C26H40N4O11 — CID 171350923

About (2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide

(2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 171350923) has the molecular formula C26H40N4O11 and a molecular weight of 584.62 g/mol. Its IUPAC name is (2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 171350923
• Molecular Formula: C26H40N4O11
• Molecular Weight: 584.62 g/mol
• Exact Mass: 584.27
• IUPAC Name: (2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: CCCCCCCCCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O[C@@H](C(N)=O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2OC)O1
• InChI: InChI=1S/C26H40N4O11/c1-3-4-5-6-7-8-9-11-28-23(36)15-13-14(31)17(33)25(39-15)41-21(22(27)35)20-19(38-2)18(34)24(40-20)30-12-10-16(32)29-26(30)37/h10,12-14,17-21,24-25,31,33-34H,3-9,11H2,1-2H3,(H2,27,35)(H,28,36)(H,29,32,37)/t14-,17-,18-,19+,20+,21-,24-,25+/m1/s1
• InChIKey: XGNXTYUDTXOGEU-QEIRNPHMSA-N
• XLogP: -1.49
• TPSA: 224.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	584.62
LogP ≤ 5	-1.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of (2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 171350923) is (2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for (2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for (2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide is CCCCCCCCCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O[C@@H](C(N)=O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2OC)O1.

What is the InChIKey of (2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is XGNXTYUDTXOGEU-QEIRNPHMSA-N. The full InChI is InChI=1S/C26H40N4O11/c1-3-4-5-6-7-8-9-11-28-23(36)15-13-14(31)17(33)25(39-15)41-21(22(27)35)20-19(38-2)18(34)24(40-20)30-12-10-16(32)29-26(30)37/h10,12-14,17-21,24-25,31,33-34H,3-9,11H2,1-2H3,(H2,27,35)(H,28,36)(H,29,32,37)/t14-,17-,18-,19+,20+,21-,24-,25+/m1/s1.

What are the key properties of (2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide?

(2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 584.62 g/mol, XLogP of -1.49, 15 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-nonyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 171350923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).