Sodium 2,3,4,5,6,7-hexahydroxyheptanoate (non-preferred Name)
fo-9893a23bc41cae9a
Identity
- Type
- Chemical salt
- CAS
- 31138-65-5
- EC
- 250-480-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 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
5- D-gluco-Heptonic acid, monosodium salt, (2ξ)-
- D-gluco-Heptonic acid, sodium salt (1:1), (2ξ)-
- D-Glucoheptonic acid, monosodium salt
- Monosodium glucoheptonate
- Sodium glucoheptonate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | FMYOMWCQJXWGEN-BMZZJELJSA-M, PZZCCEDMNRJSOC-BMZZJELJSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6?;/m1./s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+] |
| IUPAC name chemrof:IUPAC_name | D-gluco-Heptonic acid, monosodium salt, (2ξ)- |
| Molecular formula chemrof:molecular_formula | C7H13NaO8, C7H14NaO8 |
| SMILES string chemrof:smiles_string | O=C([O-])C(O)C(O)C(O)C(O)C(O)CO.[Na+] |
Known URLs
2Where 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=31138-65-5 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/131877553 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0dd41642-a425-4708-bcb8-53354ee64c2c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 1cfb3bdb-1d1f-4b84-a42e-e449ed772c55 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| b67610d7-5cda-4892-a76d-9a6136181c29 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| ead99b7c-5dc5-474b-8bb6-27214455e08b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| be555774-6d0d-4603-b6dd-a6e8ca331b85 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 5e7d7e68-6007-4b5c-8979-cd16f5252e76 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| d35f09fe-e53c-485d-9ebd-f8d01305ff5f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 282d321e-e218-48ed-bf5a-74c1ec1ce79e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| cb0e94f3-4cb4-4339-b274-02cd335db187 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 5c3e62da-8c10-41d5-a385-406c3c577921 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| aef7f6c9-0598-454b-a631-047f003bb0dd | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 05c0a3c7-041f-4edc-811e-6698ed901570 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| a8aea525-eef9-4144-b667-a96c16137a1d | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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