chempirical

Sodium ascorbyl phosphate

C6H9Na3O9PCAS 66170-10-3325.07 g/mol

Open in Covalent MOL file
Salt ratio not recorded. The source lists this compound as the parent acid and the metal without saying how many of each, so the formula and molar mass are for one of each. Check the formula on the supplier's label before you weigh it.
OOOHOHHOOPOHOHONaNaNa
AlcoholAlkeneEsterLactonePhosphate

Properties

Molecular formula
C6H9Na3O9P
Molar mass
325.07 g/mol
Exact mass
324.9677 Da
logP
-3.00Crippen estimate
Polar surface area
153.8 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
4
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
66170-10-3
SMILES
O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)(O)O.[Na].[Na].[Na]
InChIKey
ABTBLEGNFLLCMG-OFBPEYICSA-N
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);;;/t2-,4+;;;/m0.../s1

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Type any one amount. The others follow from the molar mass.

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

Similar compounds

Magnesium ascorbyl phosphate108910-78-762 % similar Magnesium ascorbyl phosphate113170-55-162 % similar Chemistry of ascorbic acid50-81-753 % similar Erythorbic acid89-65-653 % similar Ascorbyl glucoside129499-78-150 % similar Dehydroascorbic acid490-83-542 % similar 3-O-Ethylascorbic acid86404-04-839 % similar Sodium ascorbate134-03-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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