Sodium bitartrate monohydrate

CAT: 0024-sc-215865ASize: 1 KgDry Ice: NoHazardous: No

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CAT#:0024-sc-215865ASize:1 Kg

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CAS Number

6131-98-2

Chemical Information

Sodium bitartrate monohydrate

CAS Number	6131-98-2
PubChem CID	76965350
IUPAC Name	sodium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate;hydrate
Molecular Formula	C4H7NaO7
Molecular Weight	190.08
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	157

SMILES

[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O.O.[Na+]

InChI

InChI=1S/C4H6O6.Na.H2O/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H2/q;+1;/p-1/t1-,2-;;/m1../s1

InChIKey

LLVQEXSQFBTIRD-OLXYHTOASA-M

Chemical Structure

2D Structure

CAS: 6131-98-2

CID: 76965350

Formula: C4H7NaO7

MW: 190.08

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	190.08
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	190.00894684
Monoisotopic Mass	190.00894684
Topological Polar Surface Area	119 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	157
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
sc-211709	L-Noradrenaline Bitartrate Monohydrate
sc-236914	Sodium nitromalonaldehyde monohydrate
sc-229305	Sodium hydroxide monohydrate
sc-205781A	Oxacillin Sodium Monohydrate
sc-253579	Sodium deoxycholate monohydrate
sc-203397A	Sodium perchlorate monohydrate
sc-203381B	Sodium carbonate monohydrate
sc-205261B	Cloxacillin sodium monohydrate
sc-253579A	Sodium deoxycholate monohydrate
sc-205261D	Cloxacillin sodium monohydrate

Catalog	Name
FS176481	Sodium bitartrate monohydrate
S04365	Sodium bitartrate monohydrate 98%
B1990-1000	Noradrenaline bitartrate monohydrate
GP7483-1g	Norepinephrine bitartrate monohydrate
HY-13715B-01	Norepinephrine (bitartrate monohydrate)