(2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C11H15N5O4 — CID 15931427

IUPAC(2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1c(-c2ncc[nH]2)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H15N5O4/c12-9-6(10-13-1-2-14-10)15-4-16(9)11-8(19)7(18)5(3-17)20-11/h1-2,4-5,7-8,11,17-19H,3,12H2,(H,13,14)/t5-,7-,8-,11-/m1/s1
InChIKeyWTMXHRRMUHTQPH-IOSLPCCCSA-N
MW281.27 g/mol
LogP-1.53
Rot. Bonds3

About (2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 15931427) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID15931427
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name(2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1c(-c2ncc[nH]2)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H15N5O4/c12-9-6(10-13-1-2-14-10)15-4-16(9)11-8(19)7(18)5(3-17)20-11/h1-2,4-5,7-8,11,17-19H,3,12H2,(H,13,14)/t5-,7-,8-,11-/m1/s1
InChIKeyWTMXHRRMUHTQPH-IOSLPCCCSA-N
XLogP-1.53
TPSA142.44 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

Adenosine, N-(2-(1H-imidazol-4-yl)ethyl)-
CID 3039089
3-Isoadenosine
CID 135456222
(3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 46877014
(2R,3S,4R)-2-(hydroxymethyl)-5-[6-[2-(1H-imidazol-5-yl)ethylamino]purin-9-yl]oxolane-3,4-diol
CID 46877193
9-beta-D-ribofuranosyl-9H-purin-7-ium
CID 5289230
1'-(2-Deoxy-|A-D-erythro-pentofuranosyl)[2,4'-bi-1H-imidazol]-5'-amine
CID 11129206
CID 135962086
CID 135962086
(2R,3R,4S,5R)-2-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 135976176
[[(2R,3S,5R)-5-(4,5-dihydroimidazo[2,1-f]purin-3-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 136650111
2'-butyl-1-[(3S*,4R*)-4-ethoxytetrahydrofuran-3-yl]-1H,1'H-2,4'-biimidazole
CID 70754992
1-[(2S)-tetrahydrofuran-2-ylmethyl]-1H,1'H-2,4'-biimidazole
CID 70762846
(3S,4S,5R)-2-(2-fluoro-6,7-dihydropurin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 91004237

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 15931427) is (2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol is Nc1c(-c2ncc[nH]2)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is WTMXHRRMUHTQPH-IOSLPCCCSA-N. The full InChI is InChI=1S/C11H15N5O4/c12-9-6(10-13-1-2-14-10)15-4-16(9)11-8(19)7(18)5(3-17)20-11/h1-2,4-5,7-8,11,17-19H,3,12H2,(H,13,14)/t5-,7-,8-,11-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 281.27 g/mol, XLogP of -1.53, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[5-amino-4-(1H-imidazol-2-yl)imidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 15931427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).