[9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane

C27H21FN5OP — CID 129084461

IUPAC[9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane
SMILESF[C@H]1C=COC1n1cnc2c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)ncnc21
InChIInChI=1S/C27H21FN5OP/c28-23-16-17-34-27(23)33-19-31-24-25(29-18-30-26(24)33)32-35(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,23,27H/t23-,27?/m0/s1
InChIKeyOEVHTKXZKHVGBE-DCCUJTHKSA-N
MW481.47 g/mol
LogP5.02
Rot. Bonds5

About [9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane

[9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane (PubChem CID 129084461) has the molecular formula C27H21FN5OP and a molecular weight of 481.47 g/mol. Its IUPAC name is [9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name[9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane
PubChem CID129084461
Molecular FormulaC27H21FN5OP
Molecular Weight481.47 g/mol
Exact Mass481.15
IUPAC Name[9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane
SMILESF[C@H]1C=COC1n1cnc2c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)ncnc21
InChIInChI=1S/C27H21FN5OP/c28-23-16-17-34-27(23)33-19-31-24-25(29-18-30-26(24)33)32-35(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,23,27H/t23-,27?/m0/s1
InChIKeyOEVHTKXZKHVGBE-DCCUJTHKSA-N
XLogP5.02
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane 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

N'-[9-[(2R,3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide
CID 59157856
(E)-1-[(3R,5R)-4-fluoro-3-iodo-5-[6-[(triphenyl-λ5-phosphanylidene)amino]purin-9-yl]oxolan-2-yl]oxy-3-iodobut-2-en-2-ol
CID 130283626
N'-[9-[(2R,3R,4R,5R)-5-chloro-3-fluoro-4-phenylselanyloxolan-2-yl]purin-6-yl]-N,N-dimethylmethanimidamide
CID 140542197
2-[(2R,3S,4R,5R)-3-benzoyl-5-(6-chloropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]-2-hydroxy-1-phenylethanone
CID 87813159
CID 58521297
CID 58521297
N-[9-[(2R,3R,4R)-3-fluoro-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 175295617
(2R,3R,4S,5R)-2-[6-[2-(2-fluorophenyl)ethynyl]purin-9-yl]-5-methyloxolane-3,4-diol
CID 123273527
(2R,5R)-2-(6-azidopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59964783
(3S,4S,5R)-2-(6-azidopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 21120311
(2R)-5-(hydroxymethyl)-2-[6-(methylideneamino)purin-9-yl]-2,3-dihydrofuran-3,4-diol
CID 163546638
[(2R,3S,4S,5R)-4-acetyloxy-5-(6-chloropurin-9-yl)-3-fluorooxolan-2-yl] benzoate
CID 175075584
2-(hydroxymethyl)-5-[6-[(E)-2-hydroxy-2-phenylethenyl]purin-9-yl]oxolane-3,4-diol
CID 135476744

Frequently Asked Questions

What is the IUPAC name of [9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane?
The IUPAC name of [9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane (CID 129084461) is [9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane.
What is the SMILES notation for [9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane?
The canonical SMILES for [9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane is F[C@H]1C=COC1n1cnc2c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)ncnc21.
What is the InChIKey of [9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane?
The InChIKey is OEVHTKXZKHVGBE-DCCUJTHKSA-N. The full InChI is InChI=1S/C27H21FN5OP/c28-23-16-17-34-27(23)33-19-31-24-25(29-18-30-26(24)33)32-35(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,23,27H/t23-,27?/m0/s1.
What are the key properties of [9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane?
[9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane has a molecular weight of 481.47 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(3S)-3-fluoro-2,3-dihydrofuran-2-yl]purin-6-yl]imino-triphenyl-λ5-phosphane is sourced from PubChem (CID 129084461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).