sodium 2,3,4,5,6,7-hexahydroxyheptanoate

sodium 2,3,4,5,6,7-hexahydroxyheptanoate

CAS: 31138-65-5

Formula: C7H13NaO8

SMILES: [Na+].OCC(O)C(O)C(O)C(O)C(O)C([O-])=O

IUPAC: sodium 2,3,4,5,6,7-hexahydroxyheptanoate

InChI: InChI=1/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1

Composition: C (33.88%), H (5.28%), Na (9.26%), O (51.58%)

Molar Mass: 248.163

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	5
Exact Mass	248.05081166
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
InChIKey	FMYOMWCQJXWGEN-UHFFFAOYNA-M
Lipinski's Rule of Five
Molar Refractivity	55.07
Topological Polar Surface Area	161.51
Polarizability	18.22
Ring Count	0
Rotatable Bond Count	6

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