(3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol

C10H9FN4O3 — CID 139757934

IUPAC(3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol
SMILESO[C@@H]1[C@H](O)C(=CF)O[C@H]1c1ncc2[nH]cnc2n1
InChIInChI=1S/C10H9FN4O3/c11-1-5-6(16)7(17)8(18-5)10-12-2-4-9(15-10)14-3-13-4/h1-3,6-8,16-17H,(H,12,13,14,15)/t6-,7-,8-/m1/s1
InChIKeyNGYRXRQYKMYCTB-BWZBUEFSSA-N
MW252.21 g/mol
LogP-0.04
Rot. Bonds1

About (3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol

(3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol (PubChem CID 139757934) has the molecular formula C10H9FN4O3 and a molecular weight of 252.21 g/mol. Its IUPAC name is (3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol
PubChem CID139757934
Molecular FormulaC10H9FN4O3
Molecular Weight252.21 g/mol
Exact Mass252.07
IUPAC Name(3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol
SMILESO[C@@H]1[C@H](O)C(=CF)O[C@H]1c1ncc2[nH]cnc2n1
InChIInChI=1S/C10H9FN4O3/c11-1-5-6(16)7(17)8(18-5)10-12-2-4-9(15-10)14-3-13-4/h1-3,6-8,16-17H,(H,12,13,14,15)/t6-,7-,8-/m1/s1
InChIKeyNGYRXRQYKMYCTB-BWZBUEFSSA-N
XLogP-0.04
TPSA104.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol?
The IUPAC name of (3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol (CID 139757934) is (3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol.
What is the SMILES notation for (3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol?
The canonical SMILES for (3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol is O[C@@H]1[C@H](O)C(=CF)O[C@H]1c1ncc2[nH]cnc2n1.
What is the InChIKey of (3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol?
The InChIKey is NGYRXRQYKMYCTB-BWZBUEFSSA-N. The full InChI is InChI=1S/C10H9FN4O3/c11-1-5-6(16)7(17)8(18-5)10-12-2-4-9(15-10)14-3-13-4/h1-3,6-8,16-17H,(H,12,13,14,15)/t6-,7-,8-/m1/s1.
What are the key properties of (3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol?
(3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol has a molecular weight of 252.21 g/mol, XLogP of -0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-2-(fluoromethylidene)-5-(7H-purin-2-yl)oxolane-3,4-diol is sourced from PubChem (CID 139757934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).