Bodipy C12-Ceramide

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Bodipy C12-Ceramide

Bodipy C12-Ceramide | 1246355-58-7

Catelog Number F01-0046
Category BODIPY
Molecular Formula C42H70N3O3F2
Molecular Weight 713.83
Catalog Number Size Price Quantity
F01-0046 -- $--

Product Introduction

BODIPY-C12 Ceramide (B12Cer) is a C12 ceramide that is tagged with the fluorophore BODIPY. It is produced from the hydrolysis of BODIPY-C12 sphingomyelin by acid sphingomyelinase and is useful for quantification of acid sphingomyelinase activity in plasma from patients with Niemann-Pick disease.

Chemical Information

Synonyms BODIPY-C12 Ceramide;N-[11-(dipyrrometheneboron difluoride)undecanoyl]-D-erythro-sphingosine; N-[11-(TopFluor)undecanoyl]-D-erythro-sphingosine; C11 TopFluor® Ceramide
Purity ≥98%
Shelf Life 1 Year
IUPAC Name 11-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]undecanamide
Canonical SMILES [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)CCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O)C)C)(F)F
InChI InChI=1S/C42H70BF2N3O3/c1-6-7-8-9-10-11-12-13-14-15-19-22-25-28-39(50)38(32-49)46-40(51)29-26-23-20-17-16-18-21-24-27-37-41-33(2)30-35(4)47(41)43(44,45)48-36(5)31-34(3)42(37)48/h25,28,30-31,38-39,49-50H,6-24,26-27,29,32H2,1-5H3,(H,46,51)/b28-25+/t38-,39+/m0/s1
InChI Key NGWZKZIJSBUOIZ-BOOOSZIVSA-N
Appearance Dark Orange to Red Solid
Melting Point >67°C (dec.)

Product Specification

Excitation 505 nm
Emission 540 nm
Storage Store at -20°C

Computed Properties

Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 27
Exact Mass 713.5478296 g/mol
Monoisotopic Mass 713.5478296 g/mol
Topological Polar Surface Area 77.5Ų
Heavy Atom Count 51
Formal Charge 0
Complexity 1140
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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