chempirical

Guluronic acid

C6H10O7CAS 15769-56-9194.14 g/mol

Open in Covalent MOL file
OOHOHOHOHOOH
AlcoholAldehydeCarboxylic acid

Properties

Molecular formula
C6H10O7
Molar mass
194.14 g/mol
Exact mass
194.0427 Da
logP
-3.29Crippen estimate
Polar surface area
135.3 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
5
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
15769-56-9
SMILES
O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O
InChIKey
IAJILQKETJEXLJ-LPBVRZIONA-N
InChI
InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3-,4+,5-/s2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Guluronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Mucic acid526-99-863 % similar Saccharic acid87-73-063 % similar Sodium D-glucuronate14984-34-056 % similar Dl-tartaric acid133-37-952 % similar D-Tartaric acid147-71-752 % similar 2,3-Dihydroxybutanedioic acid526-83-052 % similar Tartaric acid87-69-452 % similar Glucuronolactone32449-92-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Glucuronic acid6556-12-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook