8-fluoro-7H-purin-6-amine;phosphoric acid

C5H10FN5O8P2 — CID 159830247

IUPAC8-fluoro-7H-purin-6-amine;phosphoric acid
SMILESNc1ncnc2nc(F)[nH]c12.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C5H4FN5.2H3O4P/c6-5-10-2-3(7)8-1-9-4(2)11-5;2*1-5(2,3)4/h1H,(H3,7,8,9,10,11);2*(H3,1,2,3,4)
InChIKeyNNJGGHFSTWZBDM-UHFFFAOYSA-N
MW349.11 g/mol
LogP-1.78
Rot. Bonds

About 8-fluoro-7H-purin-6-amine;phosphoric acid

8-fluoro-7H-purin-6-amine;phosphoric acid (PubChem CID 159830247) has the molecular formula C5H10FN5O8P2 and a molecular weight of 349.11 g/mol. Its IUPAC name is 8-fluoro-7H-purin-6-amine;phosphoric acid.

Molecular Properties

Compound Name8-fluoro-7H-purin-6-amine;phosphoric acid
PubChem CID159830247
Molecular FormulaC5H10FN5O8P2
Molecular Weight349.11 g/mol
Exact Mass349.00
IUPAC Name8-fluoro-7H-purin-6-amine;phosphoric acid
SMILESNc1ncnc2nc(F)[nH]c12.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C5H4FN5.2H3O4P/c6-5-10-2-3(7)8-1-9-4(2)11-5;2*1-5(2,3)4/h1H,(H3,7,8,9,10,11);2*(H3,1,2,3,4)
InChIKeyNNJGGHFSTWZBDM-UHFFFAOYSA-N
XLogP-1.78
TPSA236.00 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.11
LogP ≤ 5-1.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7H-purin-6-amine;phosphoric acid?
The IUPAC name of 8-fluoro-7H-purin-6-amine;phosphoric acid (CID 159830247) is 8-fluoro-7H-purin-6-amine;phosphoric acid.
What is the SMILES notation for 8-fluoro-7H-purin-6-amine;phosphoric acid?
The canonical SMILES for 8-fluoro-7H-purin-6-amine;phosphoric acid is Nc1ncnc2nc(F)[nH]c12.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of 8-fluoro-7H-purin-6-amine;phosphoric acid?
The InChIKey is NNJGGHFSTWZBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN5.2H3O4P/c6-5-10-2-3(7)8-1-9-4(2)11-5;2*1-5(2,3)4/h1H,(H3,7,8,9,10,11);2*(H3,1,2,3,4).
What are the key properties of 8-fluoro-7H-purin-6-amine;phosphoric acid?
8-fluoro-7H-purin-6-amine;phosphoric acid has a molecular weight of 349.11 g/mol, XLogP of -1.78, 0 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7H-purin-6-amine;phosphoric acid is sourced from PubChem (CID 159830247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).