(2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol

C11H16FN5O3 — CID 176541984

IUPAC(2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol
SMILES[H]/N=C1\NC=NC2C1N=CN2[C@@H]1O[C@](F)(CO)[C@@H](O)[C@@H]1C
InChIInChI=1S/C11H16FN5O3/c1-5-7(19)11(12,2-18)20-10(5)17-4-16-6-8(13)14-3-15-9(6)17/h3-7,9-10,18-19H,2H2,1H3,(H2,13,14,15)/t5-,6?,7-,9?,10+,11+/m0/s1
InChIKeyVCYWSHPYLRCAGD-LUHYIGGDSA-N
MW285.28 g/mol
LogP-1.35
Rot. Bonds2

About (2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol

(2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol (PubChem CID 176541984) has the molecular formula C11H16FN5O3 and a molecular weight of 285.28 g/mol. Its IUPAC name is (2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol
PubChem CID176541984
Molecular FormulaC11H16FN5O3
Molecular Weight285.28 g/mol
Exact Mass285.12
IUPAC Name(2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol
SMILES[H]/N=C1\NC=NC2C1N=CN2[C@@H]1O[C@](F)(CO)[C@@H](O)[C@@H]1C
InChIInChI=1S/C11H16FN5O3/c1-5-7(19)11(12,2-18)20-10(5)17-4-16-6-8(13)14-3-15-9(6)17/h3-7,9-10,18-19H,2H2,1H3,(H2,13,14,15)/t5-,6?,7-,9?,10+,11+/m0/s1
InChIKeyVCYWSHPYLRCAGD-LUHYIGGDSA-N
XLogP-1.35
TPSA113.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol 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 (2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol?
The IUPAC name of (2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol (CID 176541984) is (2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol.
What is the SMILES notation for (2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol?
The canonical SMILES for (2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol is [H]/N=C1\NC=NC2C1N=CN2[C@@H]1O[C@](F)(CO)[C@@H](O)[C@@H]1C.
What is the InChIKey of (2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol?
The InChIKey is VCYWSHPYLRCAGD-LUHYIGGDSA-N. The full InChI is InChI=1S/C11H16FN5O3/c1-5-7(19)11(12,2-18)20-10(5)17-4-16-6-8(13)14-3-15-9(6)17/h3-7,9-10,18-19H,2H2,1H3,(H2,13,14,15)/t5-,6?,7-,9?,10+,11+/m0/s1.
What are the key properties of (2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol?
(2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol has a molecular weight of 285.28 g/mol, XLogP of -1.35, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-2-fluoro-2-(hydroxymethyl)-5-(6-imino-4,5-dihydro-1H-purin-9-yl)-4-methyloxolan-3-ol is sourced from PubChem (CID 176541984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).