(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol

C12H12FN5O3S — CID 118683808

IUPAC(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol
SMILESCc1ncnc2c([C@@H]3O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@H]3F)csc12
InChIInChI=1S/C12H12FN5O3S/c1-5-10-8(16-4-15-5)6(2-22-10)9-7(13)11(20)12(3-19,21-9)17-18-14/h2,4,7,9,11,19-20H,3H2,1H3/t7-,9-,11-,12+/m0/s1
InChIKeyQHILGANMQAUXBY-JMWNJNDNSA-N
MW325.33 g/mol
LogP1.77
Rot. Bonds3

About (2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol

(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol (PubChem CID 118683808) has the molecular formula C12H12FN5O3S and a molecular weight of 325.33 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol
PubChem CID118683808
Molecular FormulaC12H12FN5O3S
Molecular Weight325.33 g/mol
Exact Mass325.06
IUPAC Name(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol
SMILESCc1ncnc2c([C@@H]3O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@H]3F)csc12
InChIInChI=1S/C12H12FN5O3S/c1-5-10-8(16-4-15-5)6(2-22-10)9-7(13)11(20)12(3-19,21-9)17-18-14/h2,4,7,9,11,19-20H,3H2,1H3/t7-,9-,11-,12+/m0/s1
InChIKeyQHILGANMQAUXBY-JMWNJNDNSA-N
XLogP1.77
TPSA124.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol?
The IUPAC name of (2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol (CID 118683808) is (2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol is Cc1ncnc2c([C@@H]3O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@H]3F)csc12.
What is the InChIKey of (2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol?
The InChIKey is QHILGANMQAUXBY-JMWNJNDNSA-N. The full InChI is InChI=1S/C12H12FN5O3S/c1-5-10-8(16-4-15-5)6(2-22-10)9-7(13)11(20)12(3-19,21-9)17-18-14/h2,4,7,9,11,19-20H,3H2,1H3/t7-,9-,11-,12+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol?
(2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol has a molecular weight of 325.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-azido-4-fluoro-2-(hydroxymethyl)-5-(4-methylthieno[3,2-d]pyrimidin-7-yl)oxolan-3-ol is sourced from PubChem (CID 118683808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).