(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol

C8H11NO4S — CID 156788784

IUPAC(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2ccns2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H11NO4S/c10-3-4-6(11)7(12)8(13-4)5-1-2-9-14-5/h1-2,4,6-8,10-12H,3H2/t4-,6-,7-,8+/m1/s1
InChIKeyJWNJYJAMBQCKSM-JBBNEOJLSA-N
MW217.25 g/mol
LogP-0.70
Rot. Bonds2

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

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol (PubChem CID 156788784) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol
PubChem CID156788784
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2ccns2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H11NO4S/c10-3-4-6(11)7(12)8(13-4)5-1-2-9-14-5/h1-2,4,6-8,10-12H,3H2/t4-,6-,7-,8+/m1/s1
InChIKeyJWNJYJAMBQCKSM-JBBNEOJLSA-N
XLogP-0.70
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 100938522
5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide
CID 154664844
5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide
CID 154664836
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol
CID 123302128
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-iodo-3-pyridinyl)oxolane-3,4-diol
CID 91505027
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-iodo-4-pyridinyl)oxolane-3,4-diol
CID 90764255
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-thiophen-3-yloxane-3,4,5-triol
CID 102451889
2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol
CID 20513127
1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 158276148
(2S,3R,4R,5S)-2-(4-chlorophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 175028100
(2R,3R,4R,5S,6S)-2-(4-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 125425129

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol (CID 156788784) is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol is OC[C@H]1O[C@@H](c2ccns2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol?
The InChIKey is JWNJYJAMBQCKSM-JBBNEOJLSA-N. The full InChI is InChI=1S/C8H11NO4S/c10-3-4-6(11)7(12)8(13-4)5-1-2-9-14-5/h1-2,4,6-8,10-12H,3H2/t4-,6-,7-,8+/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol has a molecular weight of 217.25 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol is sourced from PubChem (CID 156788784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).