Molecule ID: 44140588

IUPAC Name: [2',5,5',6-tetrachloro-6'-(2,2-dimethylpropanoyloxy)-7'-[3-[6-[[di(propan-2-yl)amino]-(2-hydroxyethoxy)phosphanyl]oxyhexylamino]-3-oxopropyl]-4'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 2,2-dimethylpropanoate

Description: The molecule is a fluorescent dye having an absorption wavelength of 530 nm and an emission wavelength of 550 nm, derived from fluorescein. It has a role as a fluorochrome. It is a xanthene dye, a phosphoramidite and a pivalate ester. It derives from a fluorescein.

SMILES: Cc1c(OC(=O)C(C)(C)C)c(Cl)cc2c1Oc1c(cc(CCC(O)=NCCCCCCOP(OCCO)N(C(C)C)C(C)C)c(OC(=O)C(C)(C)C)c1Cl)C21OC(=O)c2cc(Cl)c(Cl)cc21

SELFIES: [C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][Cl][=C][C][=C][Ring1][=C][O][C][=C][Branch2][Branch1][=N][C][=C][Branch2][Ring2][Ring1][C][C][C][Branch1][C][O][=N][C][C][C][C][C][C][O][P][Branch1][Branch1][O][C][C][O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring2][Branch1][Cl][C][Ring2][Ring2][#Branch2][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][N]

InChI: InChI=1S/C48H61Cl4N2O11P/c1-26(2)54(27(3)4)66(61-21-19-55)60-20-15-13-12-14-18-53-37(56)17-16-29-22-32-42(38(52)41(29)64-45(59)47(9,10)11)62-39-28(5)40(63-44(58)46(6,7)8)36(51)25-33(39)48(32)31-24-35(50)34(49)23-30(31)43(57)65-48/h22-27,55H,12-21H2,1-11H3,(H,53,56)

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: 11.2