[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid

C22H27N8O10P — CID 174011391

IUPAC[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid
SMILESNc1cc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2P(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)c(=O)[nH]1
InChIInChI=1S/C22H27N8O10P/c23-8-1-2-25-19-13(8)26-7-30(19)21-17(34)15(32)11(40-21)5-38-41(36,37)18-16(33)10(4-31)39-22(18)29-6-27-14-9(29)3-12(24)28-20(14)35/h1-3,6-7,10-11,15-18,21-22,31-34H,4-5H2,(H2,23,25)(H,36,37)(H3,24,28,35)/t10-,11-,15-,16-,17-,18-,21-,22-/m1/s1
InChIKeyUZUYCKUKWQBPFO-CSGMZJHUSA-N
MW594.48 g/mol
LogP-2.23
Rot. Bonds7

About [(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid

[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid (PubChem CID 174011391) has the molecular formula C22H27N8O10P and a molecular weight of 594.48 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid
PubChem CID174011391
Molecular FormulaC22H27N8O10P
Molecular Weight594.48 g/mol
Exact Mass594.16
IUPAC Name[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid
SMILESNc1cc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2P(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)c(=O)[nH]1
InChIInChI=1S/C22H27N8O10P/c23-8-1-2-25-19-13(8)26-7-30(19)21-17(34)15(32)11(40-21)5-38-41(36,37)18-16(33)10(4-31)39-22(18)29-6-27-14-9(29)3-12(24)28-20(14)35/h1-3,6-7,10-11,15-18,21-22,31-34H,4-5H2,(H2,23,25)(H,36,37)(H3,24,28,35)/t10-,11-,15-,16-,17-,18-,21-,22-/m1/s1
InChIKeyUZUYCKUKWQBPFO-CSGMZJHUSA-N
XLogP-2.23
TPSA279.34 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500594.48
LogP ≤ 5-2.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid with MolForge

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Related Compounds

6-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
CID 46874464
[(2R,3R,5S)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)-4-methylideneoxolan-3-yl]-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid
CID 163431960
[(2R,3S,4R,5R)-5-(2,6-diaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl]phosphinic acid
CID 137123310
[(2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 10701005
[(2R,3S,4R,5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid
CID 137149263
[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-imidazol-1-ylphosphinic acid
CID 58159419
[(2R,3R,4R,5R)-5-(2-(15N)azanyl-6-oxo-1H-purin-9-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 172897620
[(2S,3S,4R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 136847914
6-amino-1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-propyloxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
CID 170315545
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
CID 135398627
CID 135887834
CID 135887834
[amino-(5-chloro-4-oxopentoxy)phosphoryl] [(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 158106720

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid?
The IUPAC name of [(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid (CID 174011391) is [(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid.
What is the SMILES notation for [(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid?
The canonical SMILES for [(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid is Nc1cc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2P(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)c(=O)[nH]1.
What is the InChIKey of [(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid?
The InChIKey is UZUYCKUKWQBPFO-CSGMZJHUSA-N. The full InChI is InChI=1S/C22H27N8O10P/c23-8-1-2-25-19-13(8)26-7-30(19)21-17(34)15(32)11(40-21)5-38-41(36,37)18-16(33)10(4-31)39-22(18)29-6-27-14-9(29)3-12(24)28-20(14)35/h1-3,6-7,10-11,15-18,21-22,31-34H,4-5H2,(H2,23,25)(H,36,37)(H3,24,28,35)/t10-,11-,15-,16-,17-,18-,21-,22-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid?
[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid has a molecular weight of 594.48 g/mol, XLogP of -2.23, 7 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(2R,3R,4R,5R)-2-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]phosphinic acid is sourced from PubChem (CID 174011391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).