CAS 123632-39-3|fluo-3-AM|2-{[2-(2-{2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)phenoxy}ethoxy)-4-methylphenyl](carboxymethyl)amino}acetic acid|Fluo-3|Fluo-3|4-(2,7-D...

General Information

Structure

Molecular Formula

C₃₆H₃₀Cl₂N₂O₁₃

Molecular Mass

769.535

Exact Mass

768.11249439

Charge

InChI

InChI=1S/C36H30Cl2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)

InChIKey

OZLGRUXZXMRXGP-UHFFFAOYSA-N

Canonic Smiles

OC(=O)CN(c1ccc(cc1OCCOc1cc(C)ccc1N(CC(=O)O)CC(=O)O)c1c2cc(Cl)c(=O)cc2oc2c1cc(Cl)c(c2)O)CC(=O)O

Isomeric Smiles

O=C(O)CN(c1ccc(cc1OCCOc1c(N(CC(=O)O)CC(=O)O)ccc(c2c3c(oc4c2cc(Cl)c(=O)c4)cc(O)c(Cl)c3)c1)C)CC(=O)O

Calculated Properties

JChem

Acid pKa

3.0355244

H Acceptors

H Donor