(2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

C11H15N5O3 — CID 71221842

IUPAC(2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1c(-c2ncc[nH]2)ncn1[C@H]1C[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H15N5O3/c12-10-9(11-13-1-2-14-11)15-5-16(10)8-3-6(18)7(4-17)19-8/h1-2,5-8,17-18H,3-4,12H2,(H,13,14)/t6-,7-,8-/m1/s1
InChIKeyWBUXLVCFQWREGS-BWZBUEFSSA-N
MW265.27 g/mol
LogP-0.50
Rot. Bonds3

About (2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 71221842) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID71221842
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name(2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1c(-c2ncc[nH]2)ncn1[C@H]1C[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H15N5O3/c12-10-9(11-13-1-2-14-11)15-5-16(10)8-3-6(18)7(4-17)19-8/h1-2,5-8,17-18H,3-4,12H2,(H,13,14)/t6-,7-,8-/m1/s1
InChIKeyWBUXLVCFQWREGS-BWZBUEFSSA-N
XLogP-0.50
TPSA122.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 71221842) is (2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is Nc1c(-c2ncc[nH]2)ncn1[C@H]1C[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is WBUXLVCFQWREGS-BWZBUEFSSA-N. The full InChI is InChI=1S/C11H15N5O3/c12-10-9(11-13-1-2-14-11)15-5-16(10)8-3-6(18)7(4-17)19-8/h1-2,5-8,17-18H,3-4,12H2,(H,13,14)/t6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 265.27 g/mol, XLogP of -0.50, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 71221842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).