azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine

C26H40ClF2N11O9P2 — CID 161078883

IUPACazanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine
SMILESCC(C)OP(=O)(OC(C)C)[C@H]1C[C@H](F)[C@@H](Cn2cnc3c(Cl)nc(N)nc32)O1.Nc1nc2c(ncn2C[C@H]2O[C@@H](P(=O)([O-])O)C[C@@H]2F)c(=O)[nH]1.[NH4+]
InChIInChI=1S/C16H24ClFN5O4P.C10H13FN5O5P.H3N/c1-8(2)26-28(24,27-9(3)4)12-5-10(18)11(25-12)6-23-7-20-13-14(17)21-16(19)22-15(13)23;11-4-1-6(22(18,19)20)21-5(4)2-16-3-13-7-8(16)14-10(12)15-9(7)17;/h7-12H,5-6H2,1-4H3,(H2,19,21,22);3-6H,1-2H2,(H2,18,19,20)(H3,12,14,15,17);1H3/t10-,11+,12-;4-,5+,6-;/m00./s1
InChIKeyMWUDOMRSXTZQFJ-WIARMXTESA-N
MW786.07 g/mol
LogP2.63
Rot. Bonds10

About azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine

azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine (PubChem CID 161078883) has the molecular formula C26H40ClF2N11O9P2 and a molecular weight of 786.07 g/mol. Its IUPAC name is azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine.

Molecular Properties

Compound Nameazanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine
PubChem CID161078883
Molecular FormulaC26H40ClF2N11O9P2
Molecular Weight786.07 g/mol
Exact Mass785.21
IUPAC Nameazanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine
SMILESCC(C)OP(=O)(OC(C)C)[C@H]1C[C@H](F)[C@@H](Cn2cnc3c(Cl)nc(N)nc32)O1.Nc1nc2c(ncn2C[C@H]2O[C@@H](P(=O)([O-])O)C[C@@H]2F)c(=O)[nH]1.[NH4+]
InChIInChI=1S/C16H24ClFN5O4P.C10H13FN5O5P.H3N/c1-8(2)26-28(24,27-9(3)4)12-5-10(18)11(25-12)6-23-7-20-13-14(17)21-16(19)22-15(13)23;11-4-1-6(22(18,19)20)21-5(4)2-16-3-13-7-8(16)14-10(12)15-9(7)17;/h7-12H,5-6H2,1-4H3,(H2,19,21,22);3-6H,1-2H2,(H2,18,19,20)(H3,12,14,15,17);1H3/t10-,11+,12-;4-,5+,6-;/m00./s1
InChIKeyMWUDOMRSXTZQFJ-WIARMXTESA-N
XLogP2.63
TPSA310.06 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.07
LogP ≤ 52.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine 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

6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-methoxyoxolan-2-yl]methyl]purin-2-amine;[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-methoxyoxolan-2-yl]methanol
CID 161457727
[(3aR,4S,6R,6aR)-4-di(propan-2-yloxy)phosphoryl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;9-[[(3aR,4S,6R,6aR)-4-di(propan-2-yloxy)phosphoryl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-6-chloropurin-2-amine
CID 159246563
[(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid
CID 136928955
2-amino-9-[(2S,3R,6R)-6-di(propan-2-yloxy)phosphoryl-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-1H-purin-6-one
CID 135515185
2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one
CID 135426586
[(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonic acid;phosphono dihydrogen phosphate
CID 136602085
2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxy]propylphosphonic acid
CID 135867622
[5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluorooxolan-2-yl]methyl 2-methoxyacetate
CID 135794693
[1-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-2-methylcyclopropyl]oxymethylphosphonic acid
CID 135484438
propan-2-yl 2-[[[(2S,4S)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 144606350
[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
CID 166570879
2-amino-9-[(2,2-dimethylcyclopropyl)methyl]-1H-purin-6-one
CID 174463450

Frequently Asked Questions

What is the IUPAC name of azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine?
The IUPAC name of azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine (CID 161078883) is azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine.
What is the SMILES notation for azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine?
The canonical SMILES for azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine is CC(C)OP(=O)(OC(C)C)[C@H]1C[C@H](F)[C@@H](Cn2cnc3c(Cl)nc(N)nc32)O1.Nc1nc2c(ncn2C[C@H]2O[C@@H](P(=O)([O-])O)C[C@@H]2F)c(=O)[nH]1.[NH4+].
What is the InChIKey of azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine?
The InChIKey is MWUDOMRSXTZQFJ-WIARMXTESA-N. The full InChI is InChI=1S/C16H24ClFN5O4P.C10H13FN5O5P.H3N/c1-8(2)26-28(24,27-9(3)4)12-5-10(18)11(25-12)6-23-7-20-13-14(17)21-16(19)22-15(13)23;11-4-1-6(22(18,19)20)21-5(4)2-16-3-13-7-8(16)14-10(12)15-9(7)17;/h7-12H,5-6H2,1-4H3,(H2,19,21,22);3-6H,1-2H2,(H2,18,19,20)(H3,12,14,15,17);1H3/t10-,11+,12-;4-,5+,6-;/m00./s1.
What are the key properties of azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine?
azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine has a molecular weight of 786.07 g/mol, XLogP of 2.63, 10 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;[(2S,4S,5R)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-fluorooxolan-2-yl]-hydroxyphosphinate;6-chloro-9-[[(2R,3S,5S)-5-di(propan-2-yloxy)phosphoryl-3-fluorooxolan-2-yl]methyl]purin-2-amine is sourced from PubChem (CID 161078883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).