CID 131878561

C7H12KO7 — CID 131878561

IUPAC—
SMILESCO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O.[K]
InChIInChI=1S/C7H12O7.K/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12;/h2-5,7-10H,1H3,(H,11,12);/t2-,3-,4-,5-,7-;/m0./s1
InChIKeyCDEXONZDBQUIOP-FYXLXHTJSA-N
MW247.26 g/mol
LogP-2.86
Rot. Bonds2

About CID 131878561

CID 131878561 (PubChem CID 131878561) has the molecular formula C7H12KO7 and a molecular weight of 247.26 g/mol.

Molecular Properties

Compound NameCID 131878561
PubChem CID131878561
Molecular FormulaC7H12KO7
Molecular Weight247.26 g/mol
Exact Mass247.02
IUPAC Name—
SMILESCO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O.[K]
InChIInChI=1S/C7H12O7.K/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12;/h2-5,7-10H,1H3,(H,11,12);/t2-,3-,4-,5-,7-;/m0./s1
InChIKeyCDEXONZDBQUIOP-FYXLXHTJSA-N
XLogP-2.86
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-2.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid
CID 16744772
(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
CID 130754854
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylate
CID 102308079
potassium (2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylate
CID 154734807
3,5-dihydroxy-6-methoxy-4-nitrosooxane-2-carboxylic acid
CID 88958522
4-aminooxy-3,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 145317527
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-propanoyloxyoxane-2-carboxylic acid
CID 163847394
methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate
CID 130763840
(3S,4S,6S)-6-acetyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid;methane
CID 159269076
(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]oxane-2-carboxylic acid
CID 170193268
(3S,5S,6S)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163770117
3,4,5-trihydroxy-6-methylsulfanyloxyoxane-2-carboxylic acid
CID 123435417

Frequently Asked Questions

What is the IUPAC name of CID 131878561?
The IUPAC name of CID 131878561 (CID 131878561) is not available.
What is the SMILES notation for CID 131878561?
The canonical SMILES for CID 131878561 is CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O.[K].
What is the InChIKey of CID 131878561?
The InChIKey is CDEXONZDBQUIOP-FYXLXHTJSA-N. The full InChI is InChI=1S/C7H12O7.K/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12;/h2-5,7-10H,1H3,(H,11,12);/t2-,3-,4-,5-,7-;/m0./s1.
What are the key properties of CID 131878561?
CID 131878561 has a molecular weight of 247.26 g/mol, XLogP of -2.86, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131878561 is sourced from PubChem (CID 131878561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).