C12FDG (5-Dodecanoylaminofluorescein di-β-D-galactopyranoside)

Key facts

CAS number

138777-25-0

Purity

>95%

Form

Solid

form

Molecular weight

853.9 Da

Molecular formula

C₄₄H₅₅NO₁₆

PubChem

18651648

Nature

Synthetic

Biochemical name

N6-Ethenoadenine

Canonical smiles

CCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC6=C3C=CC(=C6)OC7C(C(C(C(O7)CO)O)O)O)OC2=O

Isomeric smiles

CCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)OC6=C3C=CC(=C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)OC2=O

InChi

InChI=1S/C44H55NO16/c1-2-3-4-5-6-7-8-9-10-11-34(48)45-23-12-15-27-26(18-23)41(55)61-44(27)28-16-13-24(56-42-39(53)37(51)35(49)32(21-46)59-42)19-30(28)58-31-20-25(14-17-29(31)44)57-43-40(54)38(52)36(50)33(22-47)60-43/h12-20,32-33,35-40,42-43,46-47,49-54H,2-11,21-22H2,1H3,(H,45,48)/t32-,33-,35+,36+,37+,38+,39-,40-,42-,43-/m1/s1

InChiKey

SLIWIQKBDGZFQR-PIVCGYGYSA-N

IUPAC Name

N-[3-oxo-3',6'-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]spiro[2-benzofuran-1,9'-xanthene]-5-yl]dodecanamide