(2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol

C10H11N3O4S — CID 67089170

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol
SMILESOC[C@H]1OC(c2nc3ncncc3s2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H11N3O4S/c14-2-4-6(15)7(16)8(17-4)10-13-9-5(18-10)1-11-3-12-9/h1,3-4,6-8,14-16H,2H2/t4-,6-,7-,8?/m1/s1
InChIKeyZFHDYXKQNYDDDH-ZRTZXPPTSA-N
MW269.28 g/mol
LogP-0.76
Rot. Bonds2

About (2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol

(2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol (PubChem CID 67089170) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol
PubChem CID67089170
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol
SMILESOC[C@H]1OC(c2nc3ncncc3s2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H11N3O4S/c14-2-4-6(15)7(16)8(17-4)10-13-9-5(18-10)1-11-3-12-9/h1,3-4,6-8,14-16H,2H2/t4-,6-,7-,8?/m1/s1
InChIKeyZFHDYXKQNYDDDH-ZRTZXPPTSA-N
XLogP-0.76
TPSA108.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol
CID 20513127
(2R,3R,4S,5R)-2-(6-chloro-1,3-benzothiazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57499565
(2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 100938522
(2R,3R,4S,5S,6R)-2-[5-chloro-4-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46927885
(2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 102318068
(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 70346694
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
CID 142650218
(2R,3S,4S)-2-(hydroxymethyl)-5-pyrrolo[2,3-d]pyrimidin-7-yloxolane-3,4-diol
CID 70508300
(3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67171845
(2S,3S,4R,5R)-2-(5-bromo-3-pyridinyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 5274359
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 46943452
2-amino-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-6-thione
CID 169423588

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol (CID 67089170) is (2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol is OC[C@H]1OC(c2nc3ncncc3s2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol?
The InChIKey is ZFHDYXKQNYDDDH-ZRTZXPPTSA-N. The full InChI is InChI=1S/C10H11N3O4S/c14-2-4-6(15)7(16)8(17-4)10-13-9-5(18-10)1-11-3-12-9/h1,3-4,6-8,14-16H,2H2/t4-,6-,7-,8?/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol has a molecular weight of 269.28 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol is sourced from PubChem (CID 67089170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).