CID 122483760

C6H8NaO10P — CID 122483760

IUPAC—
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=P(=O)[O-].[Na+]
InChIInChI=1S/C6H8O7.Na.HO3P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;1-4(2)3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;(H,1,2,3)/q;+1;/p-1
InChIKeyGGQAHXJIWQUBJY-UHFFFAOYSA-M
MW294.08 g/mol
LogP-4.81
Rot. Bonds5

About CID 122483760

CID 122483760 (PubChem CID 122483760) has the molecular formula C6H8NaO10P and a molecular weight of 294.08 g/mol.

Molecular Properties

Compound NameCID 122483760
PubChem CID122483760
Molecular FormulaC6H8NaO10P
Molecular Weight294.08 g/mol
Exact Mass293.98
IUPAC Name—
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=P(=O)[O-].[Na+]
InChIInChI=1S/C6H8O7.Na.HO3P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;1-4(2)3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;(H,1,2,3)/q;+1;/p-1
InChIKeyGGQAHXJIWQUBJY-UHFFFAOYSA-M
XLogP-4.81
TPSA189.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.08
LogP ≤ 5-4.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 173238603
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sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride
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CID 173003621
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
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hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
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tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
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2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
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Frequently Asked Questions

What is the IUPAC name of CID 122483760?
The IUPAC name of CID 122483760 (CID 122483760) is not available.
What is the SMILES notation for CID 122483760?
The canonical SMILES for CID 122483760 is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=P(=O)[O-].[Na+].
What is the InChIKey of CID 122483760?
The InChIKey is GGQAHXJIWQUBJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O7.Na.HO3P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;1-4(2)3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;(H,1,2,3)/q;+1;/p-1.
What are the key properties of CID 122483760?
CID 122483760 has a molecular weight of 294.08 g/mol, XLogP of -4.81, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122483760 is sourced from PubChem (CID 122483760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).