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

C8H13N3O4 — CID 57224028

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol
SMILESOC[C@H]1OC(Nc2cnc[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13N3O4/c12-2-4-6(13)7(14)8(15-4)11-5-1-9-3-10-5/h1,3-4,6-8,11-14H,2H2,(H,9,10)/t4-,6-,7-,8?/m1/s1
InChIKeyCLOUZFYYVNWYCC-ZRTZXPPTSA-N
MW215.21 g/mol
LogP-1.74
Rot. Bonds3

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

(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol (PubChem CID 57224028) 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-5-ylamino)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol
PubChem CID57224028
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol
SMILESOC[C@H]1OC(Nc2cnc[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H13N3O4/c12-2-4-6(13)7(14)8(15-4)11-5-1-9-3-10-5/h1,3-4,6-8,11-14H,2H2,(H,9,10)/t4-,6-,7-,8?/m1/s1
InChIKeyCLOUZFYYVNWYCC-ZRTZXPPTSA-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

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Related Compounds

5-[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-imidazole-2-carboxylic acid
CID 57190679
(2S,5R)-2-[4-[[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]anilino]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11836445
6-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-pyrimidin-2-one
CID 57112270
(2S,3S,4R,5S,6S)-2-[4,5-dimethyl-2-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]anilino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 51443483
(2S,3S,4R,5S,6S)-2-(4-chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7161461
(2R,3R,4R,5S,6S)-2-(4-chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7161460
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[4-[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]anilino]oxane-3,4,5-triol
CID 124766547
(2S,3R,4R,5R,6S)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6938933
(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 143582068
6-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-5-fluoro-1H-pyrimidin-2-one
CID 68987348
(3S,4S,5S,6R)-2-(4-hydroxyanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 25250791
(2R,3R,4S,5R)-2-(4-bromoanilino)-5-(hydroxymethyl)oxolane-3,4-diol
CID 674167

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol (CID 57224028) is (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol is OC[C@H]1OC(Nc2cnc[nH]2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol?
The InChIKey is CLOUZFYYVNWYCC-ZRTZXPPTSA-N. The full InChI is InChI=1S/C8H13N3O4/c12-2-4-6(13)7(14)8(15-4)11-5-1-9-3-10-5/h1,3-4,6-8,11-14H,2H2,(H,9,10)/t4-,6-,7-,8?/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-ylamino)oxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-imidazol-5-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-5-ylamino)oxolane-3,4-diol is sourced from PubChem (CID 57224028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).