AG003PW8

31138-65-5 | Sodium (2R,3R,4R,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoate

AG003PW8

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CAS Number	31138-65-5
Catalog Number	AG003PW8(AGN-PC-0R6H0L)
Chemical Name	Sodium (2R,3R,4R,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
IUPAC Name	sodium;(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
InChI	InChI=1S/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/t2-,3-,4+,5-,6-;/m1./s1
InChI Key	FMYOMWCQJXWGEN-WYRLRVFGSA-M
MDL Number	MFCD00013425
Molecular Formula	C7H13NaO8
Molecular Weight	248.1631
SMILES	O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+]
UNII	3D49LE7HM2
Synonyms	13007-85-7, GLUCEPTATE SODIUM, Sodium glucoheptonate, sodium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate, UNII-3D49LE7HM2, sodium glucopentonate, D-glycero-D-gulo-Heptonic acid, monosodium salt, 31138-65-5, Gluceptate Sodium [USAN], Glucoheptonic acid,sodium salt, 3D49LE7HM2, MFCD00013425, D-Gluco-heptonic acid, monosodium salt, Gluceptate sodium (USAN), Glucosemonocarboxylic acid, Sodium D-glycero-D-gulo-heptonate, EINECS 235-849-8, Monosodium D-glycero-D-gulo-heptonate, Monosodium glucoheptonate, D-glycero-D-gulo-Heptonic acid, sodium salt (1:1), DSSTox_CID_7966, Sodium Alpha-Glucoheptonate, EC 235-849-8, C7H13O8Na, DSSTox_RID_78625, DSSTox_GSID_27966, Glucoheptonic Acid Sodium Salt, SCHEMBL1479586, CHEMBL2106506, DTXSID7027966, CTK8F0887, FMYOMWCQJXWGEN-WYRLRVFGSA-M, Glucosecarboxylic Acid Sodium Salt, 10894-62-9, Tox21_200936, GC3360, AKOS016009312, alpha-D-Glucoheptonic acid sodium salt, NCGC00258490-01, Sodium glucoheptonate (max. 14% water), AK109578, AN-18387, Glucosecarboxylic acid sodium salt hydrate, D-Glucoheptonic acid sodium salt dihydrate, AX8151461, CAS-31138-65-5, D-glycero-D-gulo-Heptonic acid sodium salt, TX-017967, G0214, ST24031615, D04330, A806016, potassium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate, sodium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(oxidanyl)heptanoate, Gluceptate de sodium, SODIUM GLUCEPTATE, SODIUMGLUCOHEPTONATE, Gluceptate sodium dihydrate, Monosodium D-glucoheptonate, UNII-TE57AX2U1N, C7H13NaO8, C7H14O8.Na, D-Glycero-D-guloheptonic acid, C7H14O8.2H2O.Na, C7-H14-O8.Na, D-Glucoheptonic acid sodium salt, Glucoheptonic acid, monosodium salt, CID25587, C7-H14-O8.2H2-O.Na, EINECS 250-480-2, Sodium D-alpha-glucoheptonate dihydrate, Sodium D- glycero- D- gulo- heptonate, Sodium D-glycero-D-gulo-heptonate dihydrate, EC 250-480-2, D-gluco-Heptonic acid, monosodium salt, (2?)-, D-gluco-Heptonic acid, monosodium salt, (2xi)-, D-Gluco-heptonic acid, monosodium salt, (2.xi)-, D-gluco-Heptonic acid, monosodium salt, (2.xi.)-, D-Glycero-D-gulo-heptonic acid sodium salt dihydrate, D-gluco-Heptonic acid, sodium salt (1:1), (2xi)-, D-glycero-D-gulo-Heptonic acid, sodium salt, dihydrate, 10094-62-9, 23351-51-1,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	248.051g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	248.163g/mol
Monoisotopic Mass	248.051g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	162A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number