potassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid

C16H26GeKO17+ — CID 54679296

IUPACpotassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CCC(=O)O.O=C1OC(C(O)CO)C(O)=C1O.[GeH4].[K+]
InChIInChI=1S/C6H8O7.C6H8O6.C4H6O4.GeH4.K/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-2(8)5-3(9)4(10)6(11)12-5;5-3(6)1-2-4(7)8;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5,7-10H,1H2;1-2H2,(H,5,6)(H,7,8);1H4;/q;;;;+1
InChIKeyWNZXLLQDTAHKBI-UHFFFAOYSA-N
MW602.08 g/mol
LogP-7.17
Rot. Bonds10

About potassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid

potassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 54679296) has the molecular formula C16H26GeKO17+ and a molecular weight of 602.08 g/mol. Its IUPAC name is potassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namepotassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID54679296
Molecular FormulaC16H26GeKO17+
Molecular Weight602.08 g/mol
Exact Mass603.00
IUPAC Namepotassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CCC(=O)O.O=C1OC(C(O)CO)C(O)=C1O.[GeH4].[K+]
InChIInChI=1S/C6H8O7.C6H8O6.C4H6O4.GeH4.K/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-2(8)5-3(9)4(10)6(11)12-5;5-3(6)1-2-4(7)8;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5,7-10H,1H2;1-2H2,(H,5,6)(H,7,8);1H4;/q;;;;+1
InChIKeyWNZXLLQDTAHKBI-UHFFFAOYSA-N
XLogP-7.17
TPSA313.95 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500602.08
LogP ≤ 5-7.17
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of potassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of potassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 54679296) is potassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for potassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for potassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CCC(=O)O.O=C1OC(C(O)CO)C(O)=C1O.[GeH4].[K+].
What is the InChIKey of potassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is WNZXLLQDTAHKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C6H8O6.C4H6O4.GeH4.K/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-2(8)5-3(9)4(10)6(11)12-5;5-3(6)1-2-4(7)8;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5,7-10H,1H2;1-2H2,(H,5,6)(H,7,8);1H4;/q;;;;+1.
What are the key properties of potassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid?
potassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 602.08 g/mol, XLogP of -7.17, 10 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;butanedioic acid;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;germane;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 54679296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).