[(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite

C11H14IN5O3 — CID 129146423

IUPAC[(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite
SMILESNc1ncnc2c([C@@H]3N[C@H](COI)[C@@H](O)[C@H]3O)c[nH]c12
InChIInChI=1S/C11H14IN5O3/c12-20-2-5-9(18)10(19)7(17-5)4-1-14-8-6(4)15-3-16-11(8)13/h1,3,5,7,9-10,14,17-19H,2H2,(H2,13,15,16)/t5-,7+,9-,10+/m1/s1
InChIKeyFHVZKWZTVYJQPE-KUBHLMPHSA-N
MW391.17 g/mol
LogP-0.36
Rot. Bonds3

About [(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite

[(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite (PubChem CID 129146423) has the molecular formula C11H14IN5O3 and a molecular weight of 391.17 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite.

Molecular Properties

Compound Name[(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite
PubChem CID129146423
Molecular FormulaC11H14IN5O3
Molecular Weight391.17 g/mol
Exact Mass391.01
IUPAC Name[(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite
SMILESNc1ncnc2c([C@@H]3N[C@H](COI)[C@@H](O)[C@H]3O)c[nH]c12
InChIInChI=1S/C11H14IN5O3/c12-20-2-5-9(18)10(19)7(17-5)4-1-14-8-6(4)15-3-16-11(8)13/h1,3,5,7,9-10,14,17-19H,2H2,(H2,13,15,16)/t5-,7+,9-,10+/m1/s1
InChIKeyFHVZKWZTVYJQPE-KUBHLMPHSA-N
XLogP-0.36
TPSA129.31 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite 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

(2S,3R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 58682811
2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-ethylpyrrolidine-3,4-diol
CID 21044337
2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-propylpyrrolidine-3,4-diol
CID 10171596
(2R,3R,4S,5S)-2-[[(2S)-2-amino-1-hydroxy-3-methylbutoxy]methyl]-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidine-3,4-diol
CID 129120952
[5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl 4-methyl-2-(methylamino)pentanoate
CID 123213746
(2S,3S,4R,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(propylsulfanylmethyl)pyrrolidine-3,4-diol
CID 11738816
2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(2-fluoroethylsulfanylmethyl)pyrrolidine-3,4-diol
CID 10236743
2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)sulfanylmethyl]pyrrolidine-3,4-diol
CID 10287147
(2S,4S,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)sulfanylmethyl]pyrrolidine-3,4-diol
CID 58682803
(2S,4S,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(4-methylphenyl)sulfanylmethyl]pyrrolidine-3,4-diol
CID 58682787
2-amino-4-[[5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methylsulfanyl]butanoic acid
CID 68936504
(2S,3R,4S,5S)-2-[(3-aminophenyl)sulfanylmethyl]-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidine-3,4-diol
CID 46190570

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite?
The IUPAC name of [(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite (CID 129146423) is [(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite.
What is the SMILES notation for [(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite?
The canonical SMILES for [(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite is Nc1ncnc2c([C@@H]3N[C@H](COI)[C@@H](O)[C@H]3O)c[nH]c12.
What is the InChIKey of [(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite?
The InChIKey is FHVZKWZTVYJQPE-KUBHLMPHSA-N. The full InChI is InChI=1S/C11H14IN5O3/c12-20-2-5-9(18)10(19)7(17-5)4-1-14-8-6(4)15-3-16-11(8)13/h1,3,5,7,9-10,14,17-19H,2H2,(H2,13,15,16)/t5-,7+,9-,10+/m1/s1.
What are the key properties of [(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite?
[(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite has a molecular weight of 391.17 g/mol, XLogP of -0.36, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxypyrrolidin-2-yl]methyl hypoiodite is sourced from PubChem (CID 129146423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).