2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide

C24H33N5O13 — CID 123352312

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

2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 123352312) has the molecular formula C24H33N5O13 and a molecular weight of 599.55 g/mol. Its IUPAC name is 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 123352312
• Molecular Formula: C24H33N5O13
• Molecular Weight: 599.55 g/mol
• Exact Mass: 599.21
• IUPAC Name: 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: COC1C(C(OC2OC(C(=O)NC3CCCCN(O)C3=O)=CC(O)C2O)C(N)=O)OC(n2ccc(=O)[nH]c2=O)C1OC
• InChI: InChI=1S/C24H33N5O13/c1-38-15-16(41-22(18(15)39-2)28-8-6-13(31)27-24(28)36)17(19(25)33)42-23-14(32)11(30)9-12(40-23)20(34)26-10-5-3-4-7-29(37)21(10)35/h6,8-11,14-18,22-23,30,32,37H,3-5,7H2,1-2H3,(H2,25,33)(H,26,34)(H,27,31,36)
• InChIKey: RFRAPXJKQRTKEK-UHFFFAOYSA-N
• XLogP: -3.82
• TPSA: 254.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	599.55
LogP ≤ 5	-3.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 123352312) is 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide.

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

The canonical SMILES for 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide is COC1C(C(OC2OC(C(=O)NC3CCCCN(O)C3=O)=CC(O)C2O)C(N)=O)OC(n2ccc(=O)[nH]c2=O)C1OC.

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

The InChIKey is RFRAPXJKQRTKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O13/c1-38-15-16(41-22(18(15)39-2)28-8-6-13(31)27-24(28)36)17(19(25)33)42-23-14(32)11(30)9-12(40-23)20(34)26-10-5-3-4-7-29(37)21(10)35/h6,8-11,14-18,22-23,30,32,37H,3-5,7H2,1-2H3,(H2,25,33)(H,26,34)(H,27,31,36).

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

2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 599.55 g/mol, XLogP of -3.82, 9 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 123352312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).