5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

C9H16N4O4 — CID 123259314

IUPAC5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1c(C(N)O)ncn1C1CC(O)C(CO)O1
InChIInChI=1S/C9H16N4O4/c10-8-7(9(11)16)12-3-13(8)6-1-4(15)5(2-14)17-6/h3-6,9,14-16H,1-2,10-11H2
InChIKeyAQQYLVIVWLNBGP-UHFFFAOYSA-N
MW244.25 g/mol
LogP-1.94
Rot. Bonds3

About 5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 123259314) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID123259314
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1c(C(N)O)ncn1C1CC(O)C(CO)O1
InChIInChI=1S/C9H16N4O4/c10-8-7(9(11)16)12-3-13(8)6-1-4(15)5(2-14)17-6/h3-6,9,14-16H,1-2,10-11H2
InChIKeyAQQYLVIVWLNBGP-UHFFFAOYSA-N
XLogP-1.94
TPSA139.78 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carbohydrazide
CID 10563073
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 131850230
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
(2R,3S)-5-(6-fluoropurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90951411
(2R,3S,5R)-5-[5-amino-4-(5-methyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 101413495
5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154718024
(2R,3S,5S)-5-(2-aminopurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 102301563
(2R,3S,5R)-5-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10933976
(2R,3S,5R)-5-(4-amino-7-methylimidazo[4,5-c]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10934328

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 123259314) is 5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is Nc1c(C(N)O)ncn1C1CC(O)C(CO)O1.
What is the InChIKey of 5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is AQQYLVIVWLNBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4/c10-8-7(9(11)16)12-3-13(8)6-1-4(15)5(2-14)17-6/h3-6,9,14-16H,1-2,10-11H2.
What are the key properties of 5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 244.25 g/mol, XLogP of -1.94, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-4-[amino(hydroxy)methyl]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 123259314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).