acetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt

C8H9CoN5O4 — CID 140565014

IUPACacetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt
SMILESCC(=O)O.Nc1nc(C(=O)O)nc2nc[nH]c12.[Co]
InChIInChI=1S/C6H5N5O2.C2H4O2.Co/c7-3-2-4(9-1-8-2)11-5(10-3)6(12)13;1-2(3)4;/h1H,(H,12,13)(H3,7,8,9,10,11);1H3,(H,3,4);
InChIKeyWVYWDBPXKQDFHJ-UHFFFAOYSA-N
MW298.12 g/mol
LogP-0.28
Rot. Bonds1

About acetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt

acetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt (PubChem CID 140565014) has the molecular formula C8H9CoN5O4 and a molecular weight of 298.12 g/mol. Its IUPAC name is acetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt.

Molecular Properties

Compound Nameacetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt
PubChem CID140565014
Molecular FormulaC8H9CoN5O4
Molecular Weight298.12 g/mol
Exact Mass298.00
IUPAC Nameacetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt
SMILESCC(=O)O.Nc1nc(C(=O)O)nc2nc[nH]c12.[Co]
InChIInChI=1S/C6H5N5O2.C2H4O2.Co/c7-3-2-4(9-1-8-2)11-5(10-3)6(12)13;1-2(3)4;/h1H,(H,12,13)(H3,7,8,9,10,11);1H3,(H,3,4);
InChIKeyWVYWDBPXKQDFHJ-UHFFFAOYSA-N
XLogP-0.28
TPSA155.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of acetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt?
The IUPAC name of acetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt (CID 140565014) is acetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt.
What is the SMILES notation for acetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt?
The canonical SMILES for acetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt is CC(=O)O.Nc1nc(C(=O)O)nc2nc[nH]c12.[Co].
What is the InChIKey of acetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt?
The InChIKey is WVYWDBPXKQDFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2.C2H4O2.Co/c7-3-2-4(9-1-8-2)11-5(10-3)6(12)13;1-2(3)4;/h1H,(H,12,13)(H3,7,8,9,10,11);1H3,(H,3,4);.
What are the key properties of acetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt?
acetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt has a molecular weight of 298.12 g/mol, XLogP of -0.28, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-amino-7H-purine-2-carboxylic acid;cobalt is sourced from PubChem (CID 140565014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).