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

C8H13N3O4 — CID 67171845

IUPAC(3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1cnc(C2O[C@H](CO)[C@@H](O)[C@H]2O)[nH]1
InChIInChI=1S/C8H13N3O4/c9-4-1-10-8(11-4)7-6(14)5(13)3(2-12)15-7/h1,3,5-7,12-14H,2,9H2,(H,10,11)/t3-,5-,6-,7?/m1/s1
InChIKeyRMOGGDSISMZDQC-HJZCUYRDSA-N
MW215.21 g/mol
LogP-1.85
Rot. Bonds2

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

(3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 67171845) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is (3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID67171845
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name(3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1cnc(C2O[C@H](CO)[C@@H](O)[C@H]2O)[nH]1
InChIInChI=1S/C8H13N3O4/c9-4-1-10-8(11-4)7-6(14)5(13)3(2-12)15-7/h1,3,5-7,12-14H,2,9H2,(H,10,11)/t3-,5-,6-,7?/m1/s1
InChIKeyRMOGGDSISMZDQC-HJZCUYRDSA-N
XLogP-1.85
TPSA124.62 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-amino-6-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one
CID 135818715
2-amino-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-6-thione
CID 169423588
[(2S,3S,4R)-5-(5-amino-1H-imidazol-2-yl)-3,4-dihydroxyoxolane-2-carbonyl]-trihydroxyphosphanium
CID 90942661
(2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(5-phenyl-1H-imidazol-2-yl)oxane-3,4-diol
CID 131633001
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidin-2-one
CID 118005028
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-methyl-1H-imidazol-5-yl)oxolane-3,4-diol
CID 135522006
2-amino-8-[(2R,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropurine-6-thione
CID 22865606
(2R,3S,4S)-2-(hydroxymethyl)-5-(2-nitro-1H-imidazol-5-yl)oxolane-3,4-diol
CID 142547181
5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one
CID 118005201
2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol
CID 20513127
5-amino-3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 135011179
(2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[3,4-c]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11010914

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 67171845) is (3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol is Nc1cnc(C2O[C@H](CO)[C@@H](O)[C@H]2O)[nH]1.
What is the InChIKey of (3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is RMOGGDSISMZDQC-HJZCUYRDSA-N. The full InChI is InChI=1S/C8H13N3O4/c9-4-1-10-8(11-4)7-6(14)5(13)3(2-12)15-7/h1,3,5-7,12-14H,2,9H2,(H,10,11)/t3-,5-,6-,7?/m1/s1.
What are the key properties of (3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 215.21 g/mol, XLogP of -1.85, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 67171845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).