(2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide

C23H33N7O10 — CID 46871727

IUPAC(2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cn(C[C@H]2O[C@@H](OC[C@H]3O[C@@H](Cn4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)nn1)[C@@H]1CCCN1
InChIInChI=1S/C23H33N7O10/c31-16-3-5-29(23(37)26-16)8-13-17(32)19(34)15(39-13)10-38-22-20(35)18(33)14(40-22)9-30-7-11(27-28-30)6-25-21(36)12-2-1-4-24-12/h3,5,7,12-15,17-20,22,24,32-35H,1-2,4,6,8-10H2,(H,25,36)(H,26,31,37)/t12-,13-,14+,15+,17+,18+,19+,20+,22+/m0/s1
InChIKeyOUZUJFXDOISSHW-BYHBZOCWSA-N
MW567.56 g/mol
LogP-4.85
Rot. Bonds10

About (2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 46871727) has the molecular formula C23H33N7O10 and a molecular weight of 567.56 g/mol. Its IUPAC name is (2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID46871727
Molecular FormulaC23H33N7O10
Molecular Weight567.56 g/mol
Exact Mass567.23
IUPAC Name(2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cn(C[C@H]2O[C@@H](OC[C@H]3O[C@@H](Cn4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)nn1)[C@@H]1CCCN1
InChIInChI=1S/C23H33N7O10/c31-16-3-5-29(23(37)26-16)8-13-17(32)19(34)15(39-13)10-38-22-20(35)18(33)14(40-22)9-30-7-11(27-28-30)6-25-21(36)12-2-1-4-24-12/h3,5,7,12-15,17-20,22,24,32-35H,1-2,4,6,8-10H2,(H,25,36)(H,26,31,37)/t12-,13-,14+,15+,17+,18+,19+,20+,22+/m0/s1
InChIKeyOUZUJFXDOISSHW-BYHBZOCWSA-N
XLogP-4.85
TPSA235.31 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500567.56
LogP ≤ 5-4.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze (2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 46871727) is (2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cn(C[C@H]2O[C@@H](OC[C@H]3O[C@@H](Cn4ccc(=O)[nH]c4=O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)nn1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is OUZUJFXDOISSHW-BYHBZOCWSA-N. The full InChI is InChI=1S/C23H33N7O10/c31-16-3-5-29(23(37)26-16)8-13-17(32)19(34)15(39-13)10-38-22-20(35)18(33)14(40-22)9-30-7-11(27-28-30)6-25-21(36)12-2-1-4-24-12/h3,5,7,12-15,17-20,22,24,32-35H,1-2,4,6,8-10H2,(H,25,36)(H,26,31,37)/t12-,13-,14+,15+,17+,18+,19+,20+,22+/m0/s1.
What are the key properties of (2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 567.56 g/mol, XLogP of -4.85, 10 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-[[(2R,3S,4R,5R)-5-[[(2R,3S,4S,5S)-5-[(2,4-dioxopyrimidin-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46871727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).