(2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol

C10H12FN5O4 — CID 54511649

IUPAC(2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nc(C2O[C@H](CO)[C@](O)(F)[C@@H]2O)nc2nc[nH]c12
InChIInChI=1S/C10H12FN5O4/c11-10(19)3(1-17)20-5(6(10)18)9-15-7(12)4-8(16-9)14-2-13-4/h2-3,5-6,17-19H,1H2,(H3,12,13,14,15,16)/t3-,5?,6-,10-/m1/s1
InChIKeyYJODXYLCNVDEIR-VVIUVBAXSA-N
MW285.24 g/mol
LogP-1.61
Rot. Bonds2

About (2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 54511649) has the molecular formula C10H12FN5O4 and a molecular weight of 285.24 g/mol. Its IUPAC name is (2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol
PubChem CID54511649
Molecular FormulaC10H12FN5O4
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Name(2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1nc(C2O[C@H](CO)[C@](O)(F)[C@@H]2O)nc2nc[nH]c12
InChIInChI=1S/C10H12FN5O4/c11-10(19)3(1-17)20-5(6(10)18)9-15-7(12)4-8(16-9)14-2-13-4/h2-3,5-6,17-19H,1H2,(H3,12,13,14,15,16)/t3-,5?,6-,10-/m1/s1
InChIKeyYJODXYLCNVDEIR-VVIUVBAXSA-N
XLogP-1.61
TPSA150.40 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol (CID 54511649) is (2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol is Nc1nc(C2O[C@H](CO)[C@](O)(F)[C@@H]2O)nc2nc[nH]c12.
What is the InChIKey of (2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is YJODXYLCNVDEIR-VVIUVBAXSA-N. The full InChI is InChI=1S/C10H12FN5O4/c11-10(19)3(1-17)20-5(6(10)18)9-15-7(12)4-8(16-9)14-2-13-4/h2-3,5-6,17-19H,1H2,(H3,12,13,14,15,16)/t3-,5?,6-,10-/m1/s1.
What are the key properties of (2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 285.24 g/mol, XLogP of -1.61, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-5-(6-amino-7H-purin-2-yl)-3-fluoro-2-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 54511649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).