2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide

C19H23N5O13 — CID 123758439

IUPAC2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESNC(=O)C(OC1OC(C(=O)NC2CONC2=O)=CC(O)C1O)C1OC(n2ccc(=O)[nH]c2=O)C(O)C1O
InChIInChI=1S/C19H23N5O13/c20-14(30)13(12-10(28)11(29)17(36-12)24-2-1-8(26)22-19(24)33)37-18-9(27)6(25)3-7(35-18)16(32)21-5-4-34-23-15(5)31/h1-3,5-6,9-13,17-18,25,27-29H,4H2,(H2,20,30)(H,21,32)(H,23,31)(H,22,26,33)
InChIKeyLUJOLNWEMHDUHS-UHFFFAOYSA-N
MW529.42 g/mol
LogP-6.47
Rot. Bonds7

About 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide

2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 123758439) has the molecular formula C19H23N5O13 and a molecular weight of 529.42 g/mol. Its IUPAC name is 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID123758439
Molecular FormulaC19H23N5O13
Molecular Weight529.42 g/mol
Exact Mass529.13
IUPAC Name2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESNC(=O)C(OC1OC(C(=O)NC2CONC2=O)=CC(O)C1O)C1OC(n2ccc(=O)[nH]c2=O)C(O)C1O
InChIInChI=1S/C19H23N5O13/c20-14(30)13(12-10(28)11(29)17(36-12)24-2-1-8(26)22-19(24)33)37-18-9(27)6(25)3-7(35-18)16(32)21-5-4-34-23-15(5)31/h1-3,5-6,9-13,17-18,25,27-29H,4H2,(H2,20,30)(H,21,32)(H,23,31)(H,22,26,33)
InChIKeyLUJOLNWEMHDUHS-UHFFFAOYSA-N
XLogP-6.47
TPSA273.99 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500529.42
LogP ≤ 5-6.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide with MolForge

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Related Compounds

2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 123387125
(2R,3S,4R)-2-[(1S)-2-amino-1-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 139583518
(2S,3S,4S)-2-[(1R)-2-amino-1-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
CID 162900232
(2S,3S,4S)-2-[(1R)-2-amino-1-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-[(3S)-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 162961135
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-N-cycloheptyl-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
CID 71222054
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
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-[2-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 71222146
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-dodecyl-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
CID 513527
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(4-ethylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
CID 513562
(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
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3-fluoro-4-methylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
CID 58777280
(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-(hydroxymethyl)oxolan-2-yl]-2-oxoethoxy]-N-(4-ethylphenyl)-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxamide
CID 71222070

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 123758439) is 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-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-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide is NC(=O)C(OC1OC(C(=O)NC2CONC2=O)=CC(O)C1O)C1OC(n2ccc(=O)[nH]c2=O)C(O)C1O.
What is the InChIKey of 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is LUJOLNWEMHDUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O13/c20-14(30)13(12-10(28)11(29)17(36-12)24-2-1-8(26)22-19(24)33)37-18-9(27)6(25)3-7(35-18)16(32)21-5-4-34-23-15(5)31/h1-3,5-6,9-13,17-18,25,27-29H,4H2,(H2,20,30)(H,21,32)(H,23,31)(H,22,26,33).
What are the key properties of 2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
2-[2-amino-1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 529.42 g/mol, XLogP of -6.47, 7 rotatable bonds, 8 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-dihydroxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(3-oxo-1,2-oxazolidin-4-yl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 123758439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).