Mrv1718007061818022D          

 14 13  0  0  0  0            999 V2000
   -1.5738   -1.3852    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.6794    0.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2180   -1.3045    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5768   -1.3045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3468    0.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1316    0.4025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0919   -0.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2668   -0.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1316    0.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4171    0.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7025    0.5601    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7025    1.3852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0120    0.1476    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7025   -0.2648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
 13  2  1  0  0  0  0
  8  3  1  0  0  0  0
  7  4  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
 13  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  6  0  0  0
 13 14  1  6  0  0  0
M  CHG  2   1   1   3  -1
M  END
> <DATABASE_ID>
DB14482

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1

> <INCHI_KEY>
PPASLZSBLFJQEF-RXSVEWSESA-M

> <FORMULA>
C6H7NaO6

> <MOLECULAR_WEIGHT>
198.106

> <EXACT_MASS>
198.01403223

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
14.509654812589623

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate

> <ALOGPS_LOGP>
-1.45

> <JCHEM_LOGP>
-1.9135588756666668

> <ALOGPS_LOGS>
0.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.194691755527732

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.359917400580226

> <JCHEM_PKA_STRONGEST_BASIC>
-2.979728932431362

> <JCHEM_POLAR_SURFACE_AREA>
110.05000000000001

> <JCHEM_REFRACTIVITY>
47.5824

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.25e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium ascorbate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14482

> <SECONDARY_ACCESSION_NUMBERS>
DBSALT001764

> <DRUG_GROUPS>
approved; nutraceutical

> <GENERIC_NAME>
Sodium ascorbate

> <SYNONYMS>
Ascorbato sódico; Ascorbic acid sodium salt; L-Ascorbic acid sodium salt; L-Ascorbic acid, monosodium salt; Monosodium L-ascorbate; Sodium ascorbate; sodium L-ascorbate; Vitamin C sodium; Vitamin C, sodium salt

> <PRODUCTS>
Animal Shaped Chew Vit C Tab 250mg; Appedrine; Ascorbex 500 Tab; Bugs Bunny Chew Multi Vit Plus Iron; Bugs Bunny and Friends Multiple Vitamins; C Wafer 500 Chewable 500mg; Centratex; Chewable Multiple Vitamins for Children; Chewable Multivitamins; Chewable Multivitamins Plus Iron; Chewable Vit C 100mg; Chewable Vitamin C 100mg - Tab; Chewable Vitamin C 250mg; Chewable Vitamin C 500mg; Chewable Vitamin C 500mg Tab; Chewable Vitamin C Tab 1000mg; Children's Chewable Multiple Vit.plus Iron; Children's Chewable Multiple Vitamins (chewable Tablets); Children's Chewable Multiple Vitamins - Tab; Children's Chewable Multiple Vitamins With Extra Vitamin C (chewable Tablets); Children's Chewable Multiple Vitamins With Iron Tablets (chewable Tablets); Childrens Chewable Multiple Vitamins Tab; Complete Multivitamins and Minerals for Children; CompleteNate Chewable; Davimet; Davimet with Fluoride; Davimet-M; Dexatran; Dexatrim Tablets; Flinstones Multiple Plus Iron; Flintstones Multiple Vitamins; Flintstones Multiple Vitamins Plus Iron; Flintstones Multiple Vitamins Tab; Flintstones W Extra C Tab; For Kids Only Chewable Multivit. Plus Iron; For Kids Only Chewable Multivitamins - Tab; Garfield Chewable Multivits Plus Iron Tab; Hemocyte Plus; Irospan 24/6; Mega 13 Multivitamin Formula; Mega-C-sodium Inj 250mg/ml; MoviPrep; Moviprep; Multi Vitamin with Fluoride; Multi-Vit-Flor; Multi-fruits Chewable Vitamin C 500mg Tablet; Multivitamin with 0.25 mg Fluoride; Multivitamin with 1.0 mg Fluoride; Multivitamin with Fluoride; Multivitamine; Multivitamines Plus Fer Pour Enfants (chewable Tablets); Multivitamines Pour Enfants (chewable Tablets); Multivitamins for Children; NESTABS DHA Prenatal Multi-vitamin/Mineral Supplement with DHA/EPA; NESTABS Prenatal Multi-vitamin/Mineral Supplement; Natural Fruit Chew C 250mg Tangy Orange Flavour; NeutroSpec; Nutri-Tab OB; Nutri-Tab OB plus DHA; PEG-3350, Electrolytes, and Ascorbate; PNV Prenatal Vitamin; Paramettes Chewable Multivits With Iron Tab; Peg-3350, Sodium Sulfate, Sodium Chloride, Potassium Chloride, Sodium Ascorbate and Ascorbic Acid; Permathene-12 - Caplet; Plenvu; Pnv-VP-U; Poly-VI-flor; Poly-VI-sol Drops; Poly-Vi-Flor; Poly-Vi-Flor Gummies; Poly-Vite Pediatric Oral Solution; Poly-Vite/Iron Oral Solution; Pre-Tabs DHA Prenatal Multi-vitamin/Mineral Supplement with DHA/EPA; Prenavite Forte; Prenavite Forte Tablets; Prenavite Tablets; PureFe OB Plus; PureFe Plus; PureVit DualFe Plus; S.H. Drink Mix; Se-Tan DHA; Se-Tan PLUS; Selenium Plus; Sodium Ascor Crystal 888.8mg/gm USP; Soluvit N; Tandem OB; Tandem Plus; Tgi Tab 50mg; Tri-VI-sol Drops; Tri-Vite Pediatric Oral Solution; V-Natal; Virt-Bal DHA Plus; Virt-Pn DHA; Vit C Chew Tab 250mg; Vit C Chew Tab 500mg; Vit C Tab 500mg; Vitamin C; Vitamin C 250mg Chewable; Vitamin C 500 Tab Chewable; Vitamin C 60mg; Vitamin C Chew Sug Fr 500mg; Vitamin C Tab 1000mg; Vitamin C Tab 1000mg Chewable; Vitamin C Tab 100mg; Vitamin C Tab 100mg Chewable; Vitamin C Tab 100mg Chewable Orange; Vitamin C Tab 100mg Orange Flavoured Chewable; Vitamin C Tab 250mg Chewable; Vitamin C Tab 250mg Chewable Orange; Vitamin C Tab 250mg Orange Flavoured Chewable; Vitamin C Tab 500mg; Vitamin C Tab 500mg Chewable; Vitamin C Tab 500mg Chewable Orange; Vitamin C Tab 500mg Orange Flavor; Vitamin C Tab 500mg Orange Flavoured Chewable; Vitamin C Tablets Chewable 250mg; Vitamin C Tablets Chewable 500mg; Vitamine C 100mg 5 Fruits-tab; Vitamine C 100mg Tab Masticable; Vitamine C 250mg Tab Masticable; Vitamine C 500mg 5-fruits - Tab; Vitamine C 500mg 5-fruits Tab; Vitamine C Croquable Tab 500mg; Vitamine C Tab 100mg; Vitamine C Tab 250mg; Vitamines Et Mineraux Enfants 970; Zinc Lozenge With Vitamin C; Zoo Chews; Zoo Chews Plus Iron

$$$$