(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol

C9H14N2O5 — CID 165180135

IUPAC(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol
SMILESOC[C@H]1OC[C@@H](Nc2ccno2)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H14N2O5/c12-3-6-9(14)8(13)5(4-15-6)11-7-1-2-10-16-7/h1-2,5-6,8-9,11-14H,3-4H2/t5-,6-,8-,9+/m1/s1
InChIKeyGIFIRJJJGMVKSR-GCXDCGAKSA-N
MW230.22 g/mol
LogP-1.43
Rot. Bonds3

About (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol

(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol (PubChem CID 165180135) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol
PubChem CID165180135
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol
SMILESOC[C@H]1OC[C@@H](Nc2ccno2)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H14N2O5/c12-3-6-9(14)8(13)5(4-15-6)11-7-1-2-10-16-7/h1-2,5-6,8-9,11-14H,3-4H2/t5-,6-,8-,9+/m1/s1
InChIKeyGIFIRJJJGMVKSR-GCXDCGAKSA-N
XLogP-1.43
TPSA107.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol (CID 165180135) is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol is OC[C@H]1OC[C@@H](Nc2ccno2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol?
The InChIKey is GIFIRJJJGMVKSR-GCXDCGAKSA-N. The full InChI is InChI=1S/C9H14N2O5/c12-3-6-9(14)8(13)5(4-15-6)11-7-1-2-10-16-7/h1-2,5-6,8-9,11-14H,3-4H2/t5-,6-,8-,9+/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol?
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol has a molecular weight of 230.22 g/mol, XLogP of -1.43, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol is sourced from PubChem (CID 165180135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).