Creatine Phosphate Sodium Salt

CAT: 1489-S5000-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:1489-S5000-01Size:1 g

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CAS Number

71519-72-7

Purity

0.98

Chemical Information

Phosphocreatine disodium tetrahydrate

See also: Phosphocreatine sodium (annotation moved to).

CAS Number	71519-72-7
PubChem CID	44134639
IUPAC Name	disodium;2-[methyl-(N'-phosphonatocarbamimidoyl)amino]acetic acid;tetrahydrate
Molecular Formula	C4H16N3Na2O9P
Molecular Weight	327.14
Topological Polar Surface Area	146
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	259

SMILES

CN(CC(=O)O)C(=NP(=O)([O-])[O-])N.O.O.O.O.[Na+].[Na+]

InChI

InChI=1S/C4H10N3O5P.2Na.4H2O/c1-7(2-3(8)9)4(5)6-13(10,11)12;;;;;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;;4*1H2/q;2*+1;;;;/p-2

InChIKey

HUWYWJSJJDCZRQ-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 71519-72-7

CID: 44134639

Formula: C4H16N3Na2O9P

MW: 327.14

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	327.14
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	327.04195466
Monoisotopic Mass	327.04195466
Topological Polar Surface Area	146 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	259
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	7
Compound Is Canonicalized	Yes

Catalog	Name
C9921-01	Creatine Phosphate Disodium Salt
N9290-01	2-Naphthyl phosphate sodium salt
P9430-01	Creatine phosphate
G8870-01	D-Glucose 6-phosphate Sodium Salt
C2370-01	CAPSO sodium salt
C9930-01	Cefoxitin Sodium Salt
A8180-01	Ampicillin Sodium Salt
N8310	Novobiocin Sodium Salt
C8240-01	Cefotaxim Sodium Salt
C7601-01	Calcein Sodium Salt

Catalog	Name
MBS3609256-01	Creatine phosphate disodium salt
sc-221442B	Creatine Phosphate, Dipotassium Salt
BIC1452-01	Creatine phosphate, disodium salt
RM-C182001-01	Creatine Phosphate Sodium Impurity A
270490-01	Creatine Phosphate Disodium Salt Tetrahydrate
GE7721-100g	Creatine phosphate disodium salt hydrate
TRC-C273770-1G	Creatine Phosphate Di(tris) Salt
A2331-01	Creatine Phosphate, Disodium Salt, Tetrahydrate
MBS682039	Creatine phosphate, Disodium Salt (CP)
C-8500-01	Creatine phosphate, disodium salt tetrahydrate