CID 158075448

C5H7CaMgN4O3P — CID 158075448

IUPAC—
SMILESO=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1.P.[Ca].[Mg]
InChIInChI=1S/C5H4N4O3.Ca.Mg.H3P/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;;;/h(H4,6,7,8,9,10,11,12);;;1H3
InChIKeyWSRUKVKHAYWXFU-UHFFFAOYSA-N
MW266.49 g/mol
LogP-2.47
Rot. Bonds

About CID 158075448

CID 158075448 (PubChem CID 158075448) has the molecular formula C5H7CaMgN4O3P and a molecular weight of 266.49 g/mol.

Molecular Properties

Compound NameCID 158075448
PubChem CID158075448
Molecular FormulaC5H7CaMgN4O3P
Molecular Weight266.49 g/mol
Exact Mass265.97
IUPAC Name—
SMILESO=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1.P.[Ca].[Mg]
InChIInChI=1S/C5H4N4O3.Ca.Mg.H3P/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;;;/h(H4,6,7,8,9,10,11,12);;;1H3
InChIKeyWSRUKVKHAYWXFU-UHFFFAOYSA-N
XLogP-2.47
TPSA114.37 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.49
LogP ≤ 5-2.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1,1'-biphenyl;7,9-dihydro-3H-purine-2,6,8-trione
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7,9-dihydro-3H-purine-2,6,8-trione;7,9-dihydro-3H-purine-2,6,8-trione
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2-aminoethane-1,1,1-triol;7,9-dihydro-3H-purine-2,6,8-trione
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7,9-dihydro-3H-purine-2,6,8-trione;diphenylmethanone
CID 159655980
acridine;7,9-dihydro-3H-purine-2,6,8-trione
CID 174745524
7,9-dihydro-3H-purine-2,6,8-trione;(2,4,6-trioxo-1,3-diazinan-5-yl)urea
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CID 24848861
CID 24848861
7,9-dihydro-3H-purine-2,6,8-trione;1,3,7-trimethylpurine-2,6-dione
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2,6,8-trioxo-7,9-dihydro-3H-purine-1-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of CID 158075448?
The IUPAC name of CID 158075448 (CID 158075448) is not available.
What is the SMILES notation for CID 158075448?
The canonical SMILES for CID 158075448 is O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1.P.[Ca].[Mg].
What is the InChIKey of CID 158075448?
The InChIKey is WSRUKVKHAYWXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O3.Ca.Mg.H3P/c10-3-1-2(7-4(11)6-1)8-5(12)9-3;;;/h(H4,6,7,8,9,10,11,12);;;1H3.
What are the key properties of CID 158075448?
CID 158075448 has a molecular weight of 266.49 g/mol, XLogP of -2.47, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158075448 is sourced from PubChem (CID 158075448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).