FD-1080 free acid

CAT: 0013-GTR19335672-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19335672-01Size:50 mg

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Description

FD-1080 free acid is a near-infrared-II (NIR-II) fluorophore with excitation and emission peaks at 1064 nm and 1080 nm, respectively. Its spectral properties enable high-resolution, deep-tissue in vivo imaging for applications in oncology research and vascular system studies.

CAS Number

1151888-25-3

Molecular Weight

743.33

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

FD-1080 free acid

CAS Number	1151888-25-3
PubChem CID	155891439
IUPAC Name	4-[2-[2-[2-chloro-3-[2-[1-(4-sulfobutyl)benzo[cd]indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[cd]indol-1-yl]butane-1-sulfonate
Molecular Formula	C40H39ClN2O6S2
Molecular Weight	743.3
XLogP	6.9
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Heavy Atom Count	51
Formal Charge	0
Complexity	1660

SMILES

C1CC(=C(C(=CC=C2C3=CC=CC4=C3C(=CC=C4)N2CCCCS(=O)(=O)[O-])C1)Cl)C=CC5=[N+](C6=CC=CC7=C6C5=CC=C7)CCCCS(=O)(=O)O

InChI

InChI=1S/C40H39ClN2O6S2/c41-40-30(20-22-34-32-16-6-10-28-12-8-18-36(38(28)32)42(34)24-1-3-26-50(44,45)46)14-5-15-31(40)21-23-35-33-17-7-11-29-13-9-19-37(39(29)33)43(35)25-2-4-27-51(47,48)49/h6-13,16-23H,1-5,14-15,24-27H2,(H-,44,45,46,47,48,49)

InChIKey

NDZQFRYUXBSGNX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1151888-25-3

CID: 155891439

Formula: C40H39ClN2O6S2

MW: 743.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	743.3
XLogP3	6.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	12
Exact Mass	742.1938070
Monoisotopic Mass	742.1938070
Topological Polar Surface Area	135 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	1660
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	3
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
GTR19335673-01	FD-1080
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GTR19191227	FD-211
GTR17951661	FD Antibody
GTR19181879	FD-838
GTR19222008-01	Compound 1080-0561
GTR19205889	FD 12-9
GTR19229838-01	Compound 1080-0560
GTR19229833-01	Compound 1080-0568
GTR19335675-01	FD dye 7

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FD-1080 free acid

Chemical Information

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