U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H28Cl2O8P2
Molecular Weight 469.232
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2'-((2,2-Bis(chloromethyl)propane-1,3-diyl)bis(oxy))bis(5,5-dimethyl-1,3,2-dioxaphosphorinane) 2,2'-dioxide

SMILES

CC1(C)COP(=O)(OCC(CCl)(CCl)COP2(=O)OCC(C)(C)CO2)OC1

InChI

InChIKey=ILIAGSDZPCJDQR-UHFFFAOYSA-N
InChI=1S/C15H28Cl2O8P2/c1-13(2)7-20-26(18,21-8-13)24-11-15(5-16,6-17)12-25-27(19)22-9-14(3,4)10-23-27/h5-12H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C15H28Cl2O8P2
Molecular Weight 469.232
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:27:27 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:27 GMT 2023
Record UNII
75KCV6RWA6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2'-((2,2-Bis(chloromethyl)propane-1,3-diyl)bis(oxy))bis(5,5-dimethyl-1,3,2-dioxaphosphorinane) 2,2'-dioxide
Common Name English
1,3,2-Dioxaphosphorinane, 2,2′-[[2,2-bis(chloromethyl)-1,3-propanediyl]bis(oxy)]bis[5,5-dimethyl-, 2,2′-dioxide
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
280-178-6
Created by admin on Sat Dec 16 12:27:27 GMT 2023 , Edited by admin on Sat Dec 16 12:27:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID50232137
Created by admin on Sat Dec 16 12:27:27 GMT 2023 , Edited by admin on Sat Dec 16 12:27:27 GMT 2023
PRIMARY
PUBCHEM
56842945
Created by admin on Sat Dec 16 12:27:27 GMT 2023 , Edited by admin on Sat Dec 16 12:27:27 GMT 2023
PRIMARY
FDA UNII
75KCV6RWA6
Created by admin on Sat Dec 16 12:27:27 GMT 2023 , Edited by admin on Sat Dec 16 12:27:27 GMT 2023
PRIMARY
CAS
83044-97-7
Created by admin on Sat Dec 16 12:27:27 GMT 2023 , Edited by admin on Sat Dec 16 12:27:27 GMT 2023
PRIMARY