Consensus flow list

Hexyl Hexopyranoside

fo-cca3df5424bdd8dc

Identity

Type
Neutral molecule
CAS
54549-24-5
EC
259-217-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Hexyl Hexopyranoside

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JVAZJLFFSJARQM-OZRWLHRGSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12?/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CCCCCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
IUPAC name chemrof:IUPAC_name n-Hexyl D-glucopyranoside
Molecular formula chemrof:molecular_formula C12H24O6
Molecular mass chemrof:molecular_mass 264.318
Monoisotopic mass chemrof:monoisotopic_mass 264.157288
SMILES string chemrof:smiles_string CCCCCCOC1OC(CO)C(O)C(O)C1O

Known URLs

6

Where 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=54549-24-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.053.815 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1041843 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.424.465D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/171355 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27253277 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
afe7537e-2f89-419b-9bed-6c726e74ea5b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1394f140-7ac5-4615-a7ce-54f5aee00a62 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5b724d26-45e0-407f-8250-5efecd6eb289 Environmental → Air → Indoor EF 3.1 kg 4
a772aedc-9dac-4480-b3c3-3fac5d2bb044 Environmental → Air → Long-term EF 3.1 kg 0
c29c659b-d0e7-4306-803b-844e71919d9f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c9961c85-dead-41e7-9f76-ad986c990291 Environmental → Air → Unknown EF 3.1 kg 4
d434bab4-3692-4f7d-aca2-ec5622ea957e Environmental → Ground → Agricultural EF 3.1 kg 4
e9e0c276-f194-46e0-8095-621c25336215 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6e09e58c-8289-493e-9f7a-070056e1f5b8 Environmental → Ground → Unknown EF 3.1 kg 4
b4e1ae7c-6291-4fdb-94b5-93267007c3fb Environmental → Water → Long-term EF 3.1 kg 0
e47a898f-e717-43ea-b764-b88284f32ad2 Environmental → Water → Ocean EF 3.1 kg 4
0a2f6737-a747-4224-9acb-972fd87e162d Environmental → Water → Surface water EF 3.1 kg 4
ca2cd524-f0e7-47c4-83e0-853c51e38c93 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-cca3df5424bdd8dc",
  "prefLabel": [
    {
      "@value": "Hexyl Hexopyranoside",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "D-Glucopyranoside, hexyl",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "Hexyl D-glucopyranoside",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexyl D-glucoside",
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    },
    {
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    },
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}

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