[5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium

C11H14FN5O4P+ — CID 175453379

IUPAC[5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium
SMILESNc1ncnc2c1ncn2C1OC(COC[PH+]=O)C(F)C1O
InChIInChI=1S/C11H13FN5O4P/c12-6-5(1-20-4-22-19)21-11(8(6)18)17-3-16-7-9(13)14-2-15-10(7)17/h2-3,5-6,8,11,18H,1,4H2,(H2,13,14,15)/p+1
InChIKeyDTXRGQGFQOIDEP-UHFFFAOYSA-O
MW330.24 g/mol
LogP0.00
Rot. Bonds5

About [5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium

[5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium (PubChem CID 175453379) has the molecular formula C11H14FN5O4P+ and a molecular weight of 330.24 g/mol. Its IUPAC name is [5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium.

Molecular Properties

Compound Name[5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium
PubChem CID175453379
Molecular FormulaC11H14FN5O4P+
Molecular Weight330.24 g/mol
Exact Mass330.08
IUPAC Name[5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium
SMILESNc1ncnc2c1ncn2C1OC(COC[PH+]=O)C(F)C1O
InChIInChI=1S/C11H13FN5O4P/c12-6-5(1-20-4-22-19)21-11(8(6)18)17-3-16-7-9(13)14-2-15-10(7)17/h2-3,5-6,8,11,18H,1,4H2,(H2,13,14,15)/p+1
InChIKeyDTXRGQGFQOIDEP-UHFFFAOYSA-O
XLogP0.00
TPSA125.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium with MolForge

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

Launch Full Analysis

Related Compounds

[5-(6-aminopurin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium
CID 175453397
(2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol
CID 21145488
(3R,4S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethoxymethyl)oxolane-3,4-diol
CID 145155590
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid
CID 138705702
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
CID 59289290
(2R,3S,4S,5R,6S,7R)-7-(6-aminopurin-9-yl)-6-fluoro-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940294
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(prop-2-ynoxymethyl)oxolane-3,4-diol
CID 22885211
(2R,5R)-5-(6-aminopurin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)-4-fluorooxolan-3-ol
CID 166086619
bis[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] selenite
CID 86269846
[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl formate
CID 57250654
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl formate
CID 10902503

Frequently Asked Questions

What is the IUPAC name of [5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium?
The IUPAC name of [5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium (CID 175453379) is [5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium.
What is the SMILES notation for [5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium?
The canonical SMILES for [5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium is Nc1ncnc2c1ncn2C1OC(COC[PH+]=O)C(F)C1O.
What is the InChIKey of [5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium?
The InChIKey is DTXRGQGFQOIDEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13FN5O4P/c12-6-5(1-20-4-22-19)21-11(8(6)18)17-3-16-7-9(13)14-2-15-10(7)17/h2-3,5-6,8,11,18H,1,4H2,(H2,13,14,15)/p+1.
What are the key properties of [5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium?
[5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium has a molecular weight of 330.24 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium is sourced from PubChem (CID 175453379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).