Consensus flow list

2,5,7,10,11,14-hexaoxa-1,6-distibabicyclo[4.4.4]tetradecane

fo-63e5b31bd7b51765

Identity

Type
Chemical salt
CAS
29736-75-2
EC
249-820-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2,5,7,10,11,14-hexaoxa-1,6-distibabicyclo[4.4.4]tetradecane

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

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JEPVJCOLPSALKN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/3C2H4O2.2Sb/c3*3-1-2-4;;/h3*1-2H2;;/q3*-2;2*+3
IUPAC name chemrof:IUPAC_name 2,5,7,10,11,14-hexaoxa-1,6-distibabicyclo[4.4.4]tetradecane, bis(antimony(3+));tris(ethane-1,2-diolate)
Molecular formula chemrof:molecular_formula C6H12O6Sb2
Molecular mass chemrof:molecular_mass 423.676
Monoisotopic mass chemrof:monoisotopic_mass 421.87102
SMILES string chemrof:smiles_string C(C[O-])[O-].C(C[O-])[O-].C(C[O-])[O-].[Sb+3].[Sb+3], C1CO[Sb]2OCCO[Sb](O1)OCCO2

Known URLs

9

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=29736-75-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=51138-28-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.276 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9044906 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1723SUN67Z enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J286.952G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16684206 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/73357404 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27251854 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f6655bfd-7925-40e1-9b35-1ca961b77722 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d1f13197-e837-4df7-8182-357b6364d78f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
720f798f-7660-4530-94e7-c9431458124f Environmental → Air → Indoor EF 3.1 kg 4
dce12602-395d-4d1a-8179-9e5f77cba40f Environmental → Air → Long-term EF 3.1 kg 0
5ff5cf35-39fd-492a-8abf-a6d4550ea79a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0c45d4c8-7571-4be8-ba28-4e47fda6b786 Environmental → Air → Unknown EF 3.1 kg 4
063d2a65-8e54-40f2-9235-49294b45e61f Environmental → Ground → Agricultural EF 3.1 kg 4
159136d4-6ba6-4a7c-8767-90491d351d54 Environmental → Ground → Non-agricultural EF 3.1 kg 4
23a7371b-f8e7-4c8b-8a73-f99ad218420a Environmental → Ground → Unknown EF 3.1 kg 4
87a84095-6035-4cb2-9cb2-5677e5593e13 Environmental → Water → Long-term EF 3.1 kg 0
26209ff2-7ec5-477e-90c3-9c190843638d Environmental → Water → Ocean EF 3.1 kg 4
8faa11ac-3b8f-4a6a-823a-807e745c3194 Environmental → Water → Surface water EF 3.1 kg 4
2f46ff38-176f-4527-82be-122d172388c8 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
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