BODIPY 558/568 C12

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BODIPY 558/568 C12

BODIPY 558/568 C12 | 158757-84-7

Catelog Number F01-0161
Category BODIPY
Molecular Formula C25H31BF2N2O2S
Molecular Weight 472.4
Catalog Number Size Price Quantity
F01-0161 -- $--

Product Introduction

BODIPY 558/568 C12 is an orange-fluorescent fatty acid that can be used as a building block in the synthesis of various fluorescent phospholipids or other lipophilic probes. It has been used to create bioconjugates with peptides, proteins, modified nucleotides and biopolymers with amine groups using a carbodiimide like EDAC or DIPC.

Chemical Information

Synonyms 4,4-Difluoro-5-(2-Thienyl)-4-Bora-3a,4a-Diaza-s-Indacene-3-Dodecanoic Acid
IUPAC Name 12-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)dodecanoate;hydron
Canonical SMILES [H+].[B-]1(N2C(=CC=C2CCCCCCCCCCCC(=O)[O-])C=C3[N+]1=C(C=C3)C4=CC=CS4)(F)F
InChI InChI=1S/C25H31BF2N2O2S/c27-26(28)29-20(11-8-6-4-2-1-3-5-7-9-13-25(31)32)14-15-21(29)19-22-16-17-23(30(22)26)24-12-10-18-33-24/h10,12,14-19H,1-9,11,13H2,(H,31,32)
InChI Key PHUIDILRCYWCMI-UHFFFAOYSA-N
Appearance Solid Powder

Computed Properties

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 12
Exact Mass 472.2167359 g/mol
Monoisotopic Mass 472.2167359 g/mol
Topological Polar Surface Area 76.3Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 796
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes
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