Sparfosic acid trisodium

CAT: 0127-BUP22207Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP22207Size:5 mg

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CAS Number

70962-66-2

Smiles

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

Chemical Information

Sparfosic acid trisodium

CAS Number	70962-66-2
PubChem CID	154728861
IUPAC Name	trisodium;(2S)-2-[[2-[hydroxy(oxido)phosphoryl]acetyl]amino]butanedioate
Molecular Formula	C6H7NNa3O8P
Molecular Weight	321.06
Topological Polar Surface Area	170
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	333

SMILES

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

InChI

InChI=1S/C6H10NO8P.3Na/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10;;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15);;;/q;3*+1/p-3/t3-;;;/m0.../s1

InChIKey

LKLUEGVLTGGBIX-LHWPGRLPSA-K

Chemical Structure

2D Structure

CAS: 70962-66-2

CID: 154728861

Formula: C6H7NNa3O8P

MW: 321.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	321.06
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	320.96023603
Monoisotopic Mass	320.96023603
Topological Polar Surface Area	170 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	333
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes

Catalog	Name
BUP00996-01	Sparfosic Acid
BUP18750-01	Ethylenediaminetetraacetic acid trisodium salt
BUP03530-01	Ursulcholic acid trisodium salt
BUP06774-01	UDP-glucuronic acid trisodium
OR1077116-01	D-2-Phosphoglyceric acid (trisodium)
BUP14562-01	DL-Isocitric acid trisodium salt
BUP19764-01	Phosphonoformic acid trisodium salt hexa
BIB6260	Phosphoenolpyruvic acid, trisodium salt heptahydrate
OR1014406-01	Nitrilotriacetic Acid Trisodium Salt Monohydrate
OR1013039-01	Dl-Isocitric Acid Trisodium Salt Hydrate

Catalog	Name
T12983	Sparfosic acid trisodium
VCA96266-01	Sparfosic acid (trisodium)
M34033-01	Sparfosic Acid
HY-B2201-01	Citric acid (trisodium)
166994-01	Trisodium Isocitric Acid
GTR19244987-01	Phosphoenolpyruvic acid trisodium
C04805	Citric acid trisodium
TN7849-01	Zaragozic acid A trisodium
HY-113049A-01	Phosphoenolpyruvic acid (trisodium)
T84511-01	Oxalomalic acid trisodium