D-erythro-hex-2-enonic acid, gamma-lactone
PubChem CID: 54676860
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | DL-Ascorbic acid, 62624-30-0, D-erythro-Hex-2-enonic acid, gamma-lactone, 89924-69-6, 2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one, 5-(1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one, NSC8117, 5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2,5-dihydrofuran-2-one, L-Ascorbic Acid-6-13C, 1129294-89-8, 2-(1,2-dihydroxyethyl)-4,5-dihydroxy-3-furanone, Ascorbyl radical, NSC33832, component of Cortalex, component of Ferancee, 5-(1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one (non-preferred name), Xyloascorbic acid, L-, Ferrous ascorbate, L-Ascorbic Acid-13C6, SR-01000389660, 2-(1,2-Dihydroxyethyl)-4,5-dihydroxyfuran-3-one, ascorbyl, MFCD00005378, DL-Ascorbinsaure, iso-Ascorbic acid, 149153-08-2, 178101-88-7, Prestwick_683, EINECS 263-644-3, Mercate '5', starbld0035980, Araboascorbic acid, D-, SCHEMBL786, Oprea1_099167, MLS006011447, SCHEMBL332736, CHEMBL1161421, 5-(1,2-dihydroxyethyl)-3,4-dihydroxy-5-hydrofuran-2-one, L-Ascorbic acid, iron(2+) salt, TYQCGQRIZGCHNB-UHFFFAOYSA-N, HMS3370P18, HMS3372D17, HMS3651P22, BBA09491, L-Threoascorbic acid,Antiscorbutic factor,Vitamin C, (R)-5-((S)-1,2-Dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one, WLN: T5OV EHJ CQ DQ EYQ1Q, BBL008110, HSCI1_000271, NSC218455, STK023644, AKOS000487668, AKOS015915124, AKOS016352178, SB44719, SB60900, SMP2_000183, Technetium-99 labeled ferrous ascorbate, NCGC00094971-01, NCGC00094971-02, NCGC00248925-01, NCI60_002981, SMR003217638, SY010444, VS-01830, DB-057152, L-threo-Hex-2-enonic acid, .gamma.-lactone, NS00132719, (2R)-2-[(1S)-1,5-dihydroxyfuran-3-one, EN300-18134, AG-664/01342033, SR-01000389660-1, SR-01000389660-3, Z57201291, 5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2(5H)-furanone, 3,4-dihydroxy-5-(1',2'-dihydroxyethyl)-2(5H)-furanone, 3,4-Dihydroxy-5-[(S)-1,2-dihydroxyethyl]furan-2(5H)-one, 2252244-20-3 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Description | The L-form Occurs widely in animals and plants. Good sources are citrus fruits and hip berries. Isolated from ox adrenal cortex, lemons and paprika. [CCD]. Ascorbic acid is found in nanking cherry. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -1.6 |
| Is Pains | False |
| Molecular Formula | C6H8O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CIWBSHSKHKDKBQ-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 2.0 |
| Synonyms | Hexuronic acid, Lyxoascorbic acid, threo-Hex-2-enonic acid g-lactone, 9CI, 8CI, threo-Hexulosono-1,4-lactone-2,3-enediol, Xyloascorbic acid, D-(-)-isoascorbic acid, D-Araboascorbic acid, D-erythorbic acid, D-erythro-3-Ketohexonic acid lactone, D-erythro-3-Oxohexonic acid lactone, D-erythro-ascorbic acid, D-erythro-Hex-2-enoic acid gamma-lactone, D-erythro-hex-2-enonic acid gamma-lactone, D-erythro-hex-2-enono-1,4-lactone, D-isoascorbic acid, E315, FEMA 2410, Isovitamin C |
| Compound Name | D-erythro-hex-2-enonic acid, gamma-lactone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 176.032 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 176.032 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 176.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.23323119999999997 |
| Inchi | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2 |
| Smiles | C(C(C1C(=C(C(=O)O1)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Prunus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients