(3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol

C8H13N3O3 — CID 69218256

IUPAC(3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol
SMILESC[C@H]1OC(n2cnc(N)c2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13N3O3/c1-4-6(12)7(13)8(14-4)11-2-5(9)10-3-11/h2-4,6-8,12-13H,9H2,1H3/t4-,6-,7-,8?/m1/s1
InChIKeyUQLLQLWLKZGJCM-ZRTZXPPTSA-N
MW199.21 g/mol
LogP-0.90
Rot. Bonds1

About (3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol

(3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol (PubChem CID 69218256) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is (3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol
PubChem CID69218256
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name(3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol
SMILESC[C@H]1OC(n2cnc(N)c2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13N3O3/c1-4-6(12)7(13)8(14-4)11-2-5(9)10-3-11/h2-4,6-8,12-13H,9H2,1H3/t4-,6-,7-,8?/m1/s1
InChIKeyUQLLQLWLKZGJCM-ZRTZXPPTSA-N
XLogP-0.90
TPSA93.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol?
The IUPAC name of (3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol (CID 69218256) is (3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol?
The canonical SMILES for (3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol is C[C@H]1OC(n2cnc(N)c2)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol?
The InChIKey is UQLLQLWLKZGJCM-ZRTZXPPTSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-4-6(12)7(13)8(14-4)11-2-5(9)10-3-11/h2-4,6-8,12-13H,9H2,1H3/t4-,6-,7-,8?/m1/s1.
What are the key properties of (3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol?
(3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol has a molecular weight of 199.21 g/mol, XLogP of -0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-(4-aminoimidazol-1-yl)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 69218256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).