(2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide

C11H16IN5O3 — CID 160626765

IUPAC(2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide
SMILESI.[H]/N=c1/c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2ncn1C
InChIInChI=1S/C11H15N5O3.HI/c1-15-4-14-11-9(10(15)12)13-5-16(11)8-2-6(18)7(3-17)19-8;/h4-8,12,17-18H,2-3H2,1H3;1H/b12-10-;/t6-,7+,8+;/m0./s1
InChIKeyRHKCFOLTSDLJJR-UZHPQJCHSA-N
MW393.19 g/mol
LogP-0.49
Rot. Bonds2

About (2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide

(2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide (PubChem CID 160626765) has the molecular formula C11H16IN5O3 and a molecular weight of 393.19 g/mol. Its IUPAC name is (2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide.

Molecular Properties

Compound Name(2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide
PubChem CID160626765
Molecular FormulaC11H16IN5O3
Molecular Weight393.19 g/mol
Exact Mass393.03
IUPAC Name(2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide
SMILESI.[H]/N=c1/c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2ncn1C
InChIInChI=1S/C11H15N5O3.HI/c1-15-4-14-11-9(10(15)12)13-5-16(11)8-2-6(18)7(3-17)19-8;/h4-8,12,17-18H,2-3H2,1H3;1H/b12-10-;/t6-,7+,8+;/m0./s1
InChIKeyRHKCFOLTSDLJJR-UZHPQJCHSA-N
XLogP-0.49
TPSA109.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide 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

3-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-iminopurin-1-yl]propanoic acid
CID 140544009
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol
CID 91746290
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
(2R,3S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 67241978
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
(2R,3S,5R)-2-(hydroxymethyl)-5-[6-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]purin-9-yl]oxolan-3-ol
CID 24895403
5-[6-(ethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23149721
[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methoxypurin-1-ium-6-yl]cyanamide
CID 10733724
(2R,3S,5R)-2-(hydroxymethyl)-5-[6-(1,2,4-triazol-4-yl)purin-9-yl]oxolan-3-ol
CID 10902839

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide?
The IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide (CID 160626765) is (2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide.
What is the SMILES notation for (2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide?
The canonical SMILES for (2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide is I.[H]/N=c1/c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2ncn1C.
What is the InChIKey of (2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide?
The InChIKey is RHKCFOLTSDLJJR-UZHPQJCHSA-N. The full InChI is InChI=1S/C11H15N5O3.HI/c1-15-4-14-11-9(10(15)12)13-5-16(11)8-2-6(18)7(3-17)19-8;/h4-8,12,17-18H,2-3H2,1H3;1H/b12-10-;/t6-,7+,8+;/m0./s1.
What are the key properties of (2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide?
(2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide has a molecular weight of 393.19 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolan-3-ol;hydroiodide is sourced from PubChem (CID 160626765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).