sodium;2-hydroxypropanoate;7H-purin-6-amine

C8H10N5NaO3 — CID 175024161

IUPACsodium;2-hydroxypropanoate;7H-purin-6-amine
SMILESCC(O)C(=O)[O-].Nc1ncnc2nc[nH]c12.[Na+]
InChIInChI=1S/C5H5N5.C3H6O3.Na/c6-4-3-5(9-1-7-3)10-2-8-4;1-2(4)3(5)6;/h1-2H,(H3,6,7,8,9,10);2,4H,1H3,(H,5,6);/q;;+1/p-1
InChIKeyIPGQKAWFLMFUPZ-UHFFFAOYSA-M
MW247.19 g/mol
LogP-4.94
Rot. Bonds1

About sodium;2-hydroxypropanoate;7H-purin-6-amine

sodium;2-hydroxypropanoate;7H-purin-6-amine (PubChem CID 175024161) has the molecular formula C8H10N5NaO3 and a molecular weight of 247.19 g/mol. Its IUPAC name is sodium;2-hydroxypropanoate;7H-purin-6-amine.

Molecular Properties

Compound Namesodium;2-hydroxypropanoate;7H-purin-6-amine
PubChem CID175024161
Molecular FormulaC8H10N5NaO3
Molecular Weight247.19 g/mol
Exact Mass247.07
IUPAC Namesodium;2-hydroxypropanoate;7H-purin-6-amine
SMILESCC(O)C(=O)[O-].Nc1ncnc2nc[nH]c12.[Na+]
InChIInChI=1S/C5H5N5.C3H6O3.Na/c6-4-3-5(9-1-7-3)10-2-8-4;1-2(4)3(5)6;/h1-2H,(H3,6,7,8,9,10);2,4H,1H3,(H,5,6);/q;;+1/p-1
InChIKeyIPGQKAWFLMFUPZ-UHFFFAOYSA-M
XLogP-4.94
TPSA140.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 5-4.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methanol;7H-purin-6-amine
CID 67194832
7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
bis(7H-purin-6-amine);sulfate
CID 23616791
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
2-(methylamino)-3-sulfanylpropanoic acid;7H-purin-6-amine
CID 174836451
benzamide;7H-purin-6-amine
CID 66705736
(2R)-2-(7H-purin-6-ylsulfanyl)propanoate
CID 7644850
ethane;2-methylbutan-1-amine;7H-purin-6-amine
CID 144555996
octadecanoic acid;7H-purin-6-amine
CID 141436047
2-amino-3-hydroxypropanoic acid;2-amino-3-sulfanylpropanoic acid;7H-purin-6-amine
CID 87633644
2,6-diaminohexanoic acid;7H-purin-6-amine
CID 174798775

Frequently Asked Questions

What is the IUPAC name of sodium;2-hydroxypropanoate;7H-purin-6-amine?
The IUPAC name of sodium;2-hydroxypropanoate;7H-purin-6-amine (CID 175024161) is sodium;2-hydroxypropanoate;7H-purin-6-amine.
What is the SMILES notation for sodium;2-hydroxypropanoate;7H-purin-6-amine?
The canonical SMILES for sodium;2-hydroxypropanoate;7H-purin-6-amine is CC(O)C(=O)[O-].Nc1ncnc2nc[nH]c12.[Na+].
What is the InChIKey of sodium;2-hydroxypropanoate;7H-purin-6-amine?
The InChIKey is IPGQKAWFLMFUPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5N5.C3H6O3.Na/c6-4-3-5(9-1-7-3)10-2-8-4;1-2(4)3(5)6;/h1-2H,(H3,6,7,8,9,10);2,4H,1H3,(H,5,6);/q;;+1/p-1.
What are the key properties of sodium;2-hydroxypropanoate;7H-purin-6-amine?
sodium;2-hydroxypropanoate;7H-purin-6-amine has a molecular weight of 247.19 g/mol, XLogP of -4.94, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-hydroxypropanoate;7H-purin-6-amine is sourced from PubChem (CID 175024161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).