Vitamin C-6-13C
PubChem CID: 54676536
Connections displayed (default: 10).
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| Compound Synonyms | 149153-08-2, (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one, L-Ascorbic Acid-6-13C, Vitamin C-6-13C, SR-05000001815, Spectrum_000170, SpecPlus_000867, Spectrum2_001948, Spectrum3_000228, Spectrum4_001906, Spectrum5_000592, L-[2-13C]ascorbic acid, BSPBio_001875, KBioGR_002498, KBioSS_000650, (r)-5-(1,2-dihydroxy-ethyl)-3,4-dihydroxy-5h-furan-2-one, DivK1c_006963, SCHEMBL734589, SPECTRUM1502230, SPBio_002015, CHEMBL3039395, KBio1_001907, KBio2_000650, KBio2_003218, KBio2_005786, KBio3_001375, HMS1921N06, HMS2092F10, Pharmakon1600-01502230, CCG-38498, NSC758197, AKOS004119849, NSC-758197, SDCCGMLS-0066895.P001, NCGC00178934-01, SBI-0051903.P002, SBI-0051903.0001, SR-05000001815-1, SR-05000001815-2 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one |
| Prediction Hob | 1.0 |
| Xlogp | -1.6 |
| Molecular Formula | C6H8O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CIWBSHSKHKDKBQ-DOAHDZERSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.887 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.525 |
| Compound Name | Vitamin C-6-13C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 176.032 |
| Formal Charge | 0.0 |
| 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/t2?,5-/m1/s1 |
| Smiles | C(C([C@@H]1C(=C(C(=O)O1)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Chaenomeles Speciosa (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Morus Bombycis (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Persicaria Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Phyllanthus Emblica (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Terminalia Bellirica (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients - 23. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients