(2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C11H13N3O4S — CID 10265835

IUPAC(2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)scc12
InChIInChI=1S/C11H13N3O4S/c12-11-4-2-19-10(6(4)13-3-14-11)9-8(17)7(16)5(1-15)18-9/h2-3,5,7-9,15-17H,1H2,(H2,12,13,14)/t5-,7-,8-,9-/m1/s1
InChIKeyVTCXCOOTIXNZFE-ZOQUXTDFSA-N
MW283.31 g/mol
LogP-0.57
Rot. Bonds2

About (2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 10265835) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID10265835
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name(2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)scc12
InChIInChI=1S/C11H13N3O4S/c12-11-4-2-19-10(6(4)13-3-14-11)9-8(17)7(16)5(1-15)18-9/h2-3,5,7-9,15-17H,1H2,(H2,12,13,14)/t5-,7-,8-,9-/m1/s1
InChIKeyVTCXCOOTIXNZFE-ZOQUXTDFSA-N
XLogP-0.57
TPSA121.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 10265835) is (2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol is Nc1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)scc12.
What is the InChIKey of (2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is VTCXCOOTIXNZFE-ZOQUXTDFSA-N. The full InChI is InChI=1S/C11H13N3O4S/c12-11-4-2-19-10(6(4)13-3-14-11)9-8(17)7(16)5(1-15)18-9/h2-3,5,7-9,15-17H,1H2,(H2,12,13,14)/t5-,7-,8-,9-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 283.31 g/mol, XLogP of -0.57, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(4-aminothieno[3,4-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 10265835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).