2-[[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]guanidine

C19H28N8O9 — CID 46871742

IUPAC2-[[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]guanidine
SMILESNC(N)=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
InChIInChI=1S/C19H28N8O9/c20-18(21)22-3-8-4-27(25-24-8)6-10-14(30)16(32)17(36-10)34-7-11-15(31)13(29)9(35-11)5-26-2-1-12(28)23-19(26)33/h1-2,4,9-11,13-17,29-32H,3,5-7H2,(H4,20,21,22)(H,23,28,33)/t9-,10+,11+,13+,14+,15+,16+,17+/m0/s1
InChIKeyYZPRHDXZPATVTF-CFGOVTMJSA-N
MW512.48 g/mol
LogP-5.45
Rot. Bonds9

About 2-[[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]guanidine

2-[[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]guanidine (PubChem CID 46871742) has the molecular formula C19H28N8O9 and a molecular weight of 512.48 g/mol. Its IUPAC name is 2-[[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]guanidine.

Molecular Properties

Compound Name2-[[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]guanidine
PubChem CID46871742
Molecular FormulaC19H28N8O9
Molecular Weight512.48 g/mol
Exact Mass512.20
IUPAC Name2-[[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]guanidine
SMILESNC(N)=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
InChIInChI=1S/C19H28N8O9/c20-18(21)22-3-8-4-27(25-24-8)6-10-14(30)16(32)17(36-10)34-7-11-15(31)13(29)9(35-11)5-26-2-1-12(28)23-19(26)33/h1-2,4,9-11,13-17,29-32H,3,5-7H2,(H4,20,21,22)(H,23,28,33)/t9-,10+,11+,13+,14+,15+,16+,17+/m0/s1
InChIKeyYZPRHDXZPATVTF-CFGOVTMJSA-N
XLogP-5.45
TPSA258.58 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500512.48
LogP ≤ 5-5.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[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]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 71450622
CID 71450622
CID 155514227
CID 155514227
CID 46871727
CID 46871727
CID 46906411
CID 46906411
CID 72701156
CID 72701156
CID 155513667
CID 155513667
CID 155514038
CID 155514038
CID 155514285
CID 155514285
CID 155521890
CID 155521890
CID 155529166
CID 155529166
CID 155534756
CID 155534756
CID 155543382
CID 155543382

Frequently Asked Questions

What is the IUPAC name of 2-[[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]guanidine?
The IUPAC name of 2-[[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]guanidine (CID 46871742) is 2-[[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]guanidine.
What is the SMILES notation for 2-[[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]guanidine?
The canonical SMILES for 2-[[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]guanidine is NC(N)=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.
What is the InChIKey of 2-[[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]guanidine?
The InChIKey is YZPRHDXZPATVTF-CFGOVTMJSA-N. The full InChI is InChI=1S/C19H28N8O9/c20-18(21)22-3-8-4-27(25-24-8)6-10-14(30)16(32)17(36-10)34-7-11-15(31)13(29)9(35-11)5-26-2-1-12(28)23-19(26)33/h1-2,4,9-11,13-17,29-32H,3,5-7H2,(H4,20,21,22)(H,23,28,33)/t9-,10+,11+,13+,14+,15+,16+,17+/m0/s1.
What are the key properties of 2-[[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]guanidine?
2-[[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]guanidine has a molecular weight of 512.48 g/mol, XLogP of -5.45, 9 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[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]guanidine is sourced from PubChem (CID 46871742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).