Sodium 2,3,4,5,6,7-hexahydroxyheptanoate
fo-5262143bf6958682
Identity
- Type
- Chemical salt
- CAS
- 13007-85-7
- EC
- 235-849-8
- 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-glycero-D-gulo-Heptonic acid, monosodium salt
- D-glycero-D-gulo-Heptonic acid, sodium salt (1:1)
- Gluceptate sodium
- Sodium D-glycero-D-guloheptanoate
- Sodium α-glucoheptonate
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | FMYOMWCQJXWGEN-WYRLRVFGSA-M, PZZCCEDMNRJSOC-WYRLRVFGSA-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@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+] |
| IUPAC name chemrof:IUPAC_name | D-glycero-D-gulo-Heptonic acid, monosodium salt |
| 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=13007-85-7 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/131846607 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 26c18880-66f5-4ea5-9e94-9a8ffc22a0a1 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 38fd4e70-bba7-481a-9d57-4c5f71e203e2 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d55a3b40-fdaa-4681-9693-3d5c90b680e4 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 7ffccfea-463a-4831-9b35-3cd74571b40d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7215f43f-fbb0-4d9d-90bf-a16f421835e7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| fdbaef00-f8d8-4813-80e9-2dc7fc35fdeb | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 33bc7217-2d02-431b-809b-3441591d8a16 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 8b3e7644-c416-4224-94b8-e85f1f57abde | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 74dd1e0a-d8f9-4b68-afaf-4e035f976df2 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 811c4677-de36-46fa-9656-e25efc0b2e4a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| eff88f52-4629-4b4e-a1b8-e493e7ff1707 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ceef2d7b-c840-42bf-96ba-1334e00a3e12 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 91928296-1fb6-4cc3-bee4-b58e26fdd958 | 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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