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Details

Stereochemistry ABSOLUTE
Molecular Formula C76H105N13O26S6Si3.2H
Molecular Weight 1895.381
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge -2

SHOW SMILES / InChI
Structure of IRDYE 700DX LYSINE FREE ACID

SMILES

[H+].[H+].C[Si](C)(CCC[N+](CCCS([O-])(=O)=O)(CCCS([O-])(=O)=O)CCCS([O-])(=O)=O)O[Si]1(O[Si](C)(C)CCC[N+](CCCS([O-])(=O)=O)(CCCS([O-])(=O)=O)CCCS([O-])(=O)=O)N2C3=NC4=NC(=NC5=C6C=CC=CC6=C(N=C7N=C(N=C2C8=C3C=CC=C8)C9=CC=CC(OCCCOC(=O)NCCCCCC(=O)NCCCC[C@H](N)C(O)=O)=C79)N15)C%10=CC=CC=C4%10

InChI

InChIKey=NTEUPDUYWMORIZ-NAHMTVSLSA-L
InChI=1S/C76H109N13O26S6Si3/c1-122(2,54-23-44-88(38-17-48-116(94,95)96,39-18-49-117(97,98)99)40-19-50-118(100,101)102)114-124(115-123(3,4)55-24-45-89(41-20-51-119(103,104)105,42-21-52-120(106,107)108)43-22-53-121(109,110)111)86-71-58-28-9-10-29-59(58)73(86)84-69-62-32-16-34-64(112-46-25-47-113-76(93)79-37-14-5-6-35-65(90)78-36-15-13-33-63(77)75(91)92)66(62)70(81-69)85-74-61-31-12-11-30-60(61)72(87(74)124)83-68-57-27-8-7-26-56(57)67(80-68)82-71/h7-12,16,26-32,34,63H,5-6,13-15,17-25,33,35-55,77H2,1-4H3,(H7-2,78,79,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111)/p-2/b82-67-,82-71-,83-68-,83-72-,84-69-,84-73-,85-70-,85-74-/t63-/m0/s1

HIDE SMILES / InChI

Molecular Formula C76H109N13O26S6Si3
Molecular Weight 1897.397
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry
Defined Stereocenters 1 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:20:38 GMT 2025
Edited
by admin
on Wed Apr 02 10:20:38 GMT 2025
Record UNII
SEZ2MMM66D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IRDYE 700DX LYSINE FREE ACID
Common Name English
IRDYE-700DX LYSINE FREE ACID
Preferred Name English
Code System Code Type Description
FDA UNII
SEZ2MMM66D
Created by admin on Wed Apr 02 10:20:38 GMT 2025 , Edited by admin on Wed Apr 02 10:20:38 GMT 2025
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