(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol

C8H13N3O4 — CID 69298222

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol
SMILESOC[C@H]1OC(Nc2ncc[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13N3O4/c12-3-4-5(13)6(14)7(15-4)11-8-9-1-2-10-8/h1-2,4-7,12-14H,3H2,(H2,9,10,11)/t4-,5-,6-,7?/m1/s1
InChIKeyBHBCOFJBBVWLPT-RKEPMNIXSA-N
MW215.21 g/mol
LogP-1.74
Rot. Bonds3

About (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol

(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol (PubChem CID 69298222) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol
PubChem CID69298222
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol
SMILESOC[C@H]1OC(Nc2ncc[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13N3O4/c12-3-4-5(13)6(14)7(15-4)11-8-9-1-2-10-8/h1-2,4-7,12-14H,3H2,(H2,9,10,11)/t4-,5-,6-,7?/m1/s1
InChIKeyBHBCOFJBBVWLPT-RKEPMNIXSA-N
XLogP-1.74
TPSA110.63 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol with MolForge

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Related Compounds

5-Aminoimidazole Ribonucleoside
CID 448820
5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium
CID 45266696
5-amino-1-(5-phosphonato-beta-D-ribosyl)imidazol-3-ium
CID 44229244
(2R,3R,4R,5S)-2-(5-aminoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 46937012
N-[1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-imidazol-4-yl]-formamide
CID 11356937
Imidazole, 5-fluoro-1-ribofuranosyl-
CID 547748
Imidazole, 2-fluoro-1-ribofuranosyl-
CID 547775
5-amino-1-(beta-D-ribofuranosyl)imidazol-3-ium
CID 134820109
1-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536737
[(2R,3S,4R,5R)-5-(4-amino-1H-imidazol-3-ium-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 44229245
1-D-ribosylimidazole
CID 10536017
[(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-(1H-imidazol-2-ylamino)oxolan-3-yl] dihydrogen phosphate
CID 53954873

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol (CID 69298222) is (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol is OC[C@H]1OC(Nc2ncc[nH]2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol?
The InChIKey is BHBCOFJBBVWLPT-RKEPMNIXSA-N. The full InChI is InChI=1S/C8H13N3O4/c12-3-4-5(13)6(14)7(15-4)11-8-9-1-2-10-8/h1-2,4-7,12-14H,3H2,(H2,9,10,11)/t4-,5-,6-,7?/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol has a molecular weight of 215.21 g/mol, XLogP of -1.74, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-2-ylamino)oxolane-3,4-diol is sourced from PubChem (CID 69298222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).