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Home > Other Heterocycles > 138777-25-0
138777-25-0 | Dodecanamide, N-[3',6'-bis(β-D-galactopyranosyloxy)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl]-
CAS No: 138777-25-0 Catalog No: AG0019JP MDL No:MFCD00467524
Product Description
Catalog Number:
AG0019JP
Chemical Name:
Dodecanamide, N-[3',6'-bis(β-D-galactopyranosyloxy)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl]-
CAS Number:
138777-25-0
Molecular Formula:
C44H55NO16
Molecular Weight:
853.9046
MDL Number:
MFCD00467524
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
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
InChI Key:
SLIWIQKBDGZFQR-PIVCGYGYSA-N
SMILES:
CCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O
Properties
Complexity:
1360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
853.352g/mol
Formal Charge:
0
Heavy Atom Count:
61
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
853.915g/mol
Monoisotopic Mass:
853.352g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
263A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Protocols to detect senescence-associated beta-galactosidase (SA-betagal) activity, a biomarker of senescent cells in culture and in vivo. | Nature protocols 20090101 |
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