2,3-didehydro-3-o-sodio-d-erythro-hexono-1,4-lactone
fo-ebca945f8a5bcaf6
Identity
- Type
- Molecular complex
- CAS
- 6381-77-7
- EC
- 228-973-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
15- Araboascorbic acid, monosodium salt, D-
- D-erythro-Hex-2-enonic acid, γ-lactone, monosodium salt
- D-erythro-Hex-2-enonic acid, γ-lactone, sodium salt (1:1)
- Erbit N
- Eribate N
- Erythorbic acid sodium salt
- Isoascorbate C sodium
- Isona
- Mercate 20
- Neo-Cebitate
- Ozoban
- Sodium D-isoascorbate
- Sodium erythorbate
- Sodium isoascorbate
- Sodium Isovitamin C
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | WTTKTIBMFBIUSE-RKJRWTFHSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;, InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/t2-,5-;/m1./s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O.[Na] |
| Molecular formula chemrof:molecular_formula | C6H8NaO6 |
| Molecular mass chemrof:molecular_mass | 199.114 |
| Monoisotopic mass chemrof:monoisotopic_mass | 199.021857 |
| SMILES string chemrof:smiles_string | O=C1OC(C(O)CO)C(O)=C1O.[Na] |
Known URLs
4Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=146-75-8 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=6381-77-7 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=7378-23-6 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/66952495 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| b4cbcdbf-5e27-44d3-add0-09082a49ab8c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 04328d4e-10f3-4127-bd86-7cf5b4d50727 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 0ace23e7-1611-4028-9653-5682b2c0ff66 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 624eabaf-12b8-4539-be04-ae6699f6a04b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 0d1a780e-78b7-4d3c-8e4e-db36a64b3964 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 2ac076a3-8596-4826-993b-efa039e4657b | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| a4e3061e-bd9c-4717-8796-b6e48dc56790 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 74a1f713-a9a2-4203-8045-58b0da17870b | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| c9d21516-c02a-4762-a747-d0747d1d740f | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 3bc6a8d0-12e1-4794-9640-5a65794cb4b0 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 97d7e643-673e-4899-87bd-4ab578d9725f | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 04ff3954-ce7f-48aa-af78-7b4aba7e521b | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| c85c885e-74b4-4905-ab0b-05a84dfdec94 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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"https://w3id.org/chemrof/MolecularComplex"
]
}