7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane

C5H7N4O3PS — CID 23072308

IUPAC7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane
SMILESOP(O)(O)=S.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.H3O3PS/c1-4-5(8-2-6-1)9-3-7-4;1-4(2,3)5/h1-3H,(H,6,7,8,9);(H3,1,2,3,5)
InChIKeyJBCNZZKORZNYML-UHFFFAOYSA-N
MW234.18 g/mol
LogP-0.46
Rot. Bonds

About 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane

7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane (PubChem CID 23072308) has the molecular formula C5H7N4O3PS and a molecular weight of 234.18 g/mol. Its IUPAC name is 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane.

Molecular Properties

Compound Name7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane
PubChem CID23072308
Molecular FormulaC5H7N4O3PS
Molecular Weight234.18 g/mol
Exact Mass234.00
IUPAC Name7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane
SMILESOP(O)(O)=S.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.H3O3PS/c1-4-5(8-2-6-1)9-3-7-4;1-4(2,3)5/h1-3H,(H,6,7,8,9);(H3,1,2,3,5)
InChIKeyJBCNZZKORZNYML-UHFFFAOYSA-N
XLogP-0.46
TPSA115.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane?
The IUPAC name of 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane (CID 23072308) is 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane.
What is the SMILES notation for 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane?
The canonical SMILES for 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane is OP(O)(O)=S.c1ncc2[nH]cnc2n1.
What is the InChIKey of 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane?
The InChIKey is JBCNZZKORZNYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.H3O3PS/c1-4-5(8-2-6-1)9-3-7-4;1-4(2,3)5/h1-3H,(H,6,7,8,9);(H3,1,2,3,5).
What are the key properties of 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane?
7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane has a molecular weight of 234.18 g/mol, XLogP of -0.46, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purine;trihydroxy(sulfanylidene)-λ5-phosphane is sourced from PubChem (CID 23072308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).