Sodium ascorbyl phosphate

C6H6Na3O9PCAS 66170-10-3322.05 g/mol

Open in Covalent MOL file
OOOPOO−O−O−OHHONa+Na+Na+
AlcoholAlkeneEsterLactonePhosphate

Properties

Molecular formula
C6H6Na3O9P
Molar mass
322.05 g/mol
Exact mass
321.9443 Da
logP
-3.00Crippen estimate
Polar surface area
153.8 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
4
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
66170-10-3
SMILES
C([C@@H]([C@@H]1C(=C(C(=O)O1)OP(=O)([O-])[O-])[O-])O)O.[Na+].[Na+].[Na+]
InChIKey
YRWWOAFMPXPHEJ-OFBPEYICSA-K
InChI
InChI=1S/C6H9O9P.3Na/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h2,4,7-9H,1H2,(H2,11,12,13);;;/q;3*+1/p-3/t2-,4+;;;/m0.../s1

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Names and synonyms

8 names
  • L-Ascorbic acid, 2-(dihydrogen phosphate), sodium salt (1:3)
  • L-Ascorbic acid, 2-(dihydrogen phosphate), trisodium salt
  • Trisodium ascorbate-2-phosphate
  • Stay-C 50
  • Ascorbic acid phosphate sodium salt
  • VCP-NA
  • 2-Phospha-L-ascorbic acid trisodium salt
  • L-Ascorbic acid 2-phosphate trisodium salt

Work with Sodium ascorbyl phosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Magnesium ascorbyl phosphate108910-78-7Salt Magnesium ascorbyl phosphate113170-55-1Salt

Similar compounds

Dehydroascorbic acid490-83-541 % similar Chemistry of ascorbic acid50-81-740 % similar Erythorbic acid89-65-640 % similar Sodium β-glycerophosphate819-83-038 % similar 6-Phosphogluconic acid trisodium salt53411-70-437 % similar Ascorbyl glucoside129499-78-137 % similar Disodium D-fructose 6-phosphate26177-86-636 % similar Sodium 2-glycerophosphate pentahydrate13408-09-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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