Mannuronic acid

CAS	6814-36-4
Structure
IUPAC Name	(2S,3S,4S,5S)-2,3,4,5-Tetrahydroxy-6-oxohexanoic acid
Molecular Weight	194.14
Canonical SMILES	C(=O)C(C(C(C(C(=O)O)O)O)O)O
InChI	InChI=1S/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+/m1/s1
InChI Key	IAJILQKETJEXLJ-MBMOQRBOSA-N
Boiling Point	553.4±50.0 °C
Purity	98%+
Density	1.748±0.06 g/cm³
Complexity	191
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	194.04265265
Heavy Atom Count	13
Isomeric SMILES	C(=O)[C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O
Monoisotopic Mass	194.04265265
Topological Polar Surface Area	135 Ų