CID 448116

D-maltotetraono-1,5-lactone

Structural Information

Molecular Formula
C24H40O21
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](OC(=O)[C@@H]([C@H]4O)O)CO)CO)CO)O)O)O)O
InChI
InChI=1S/C24H40O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-20,22-37H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,22-,23-,24-/m1/s1
InChIKey
FAUZEDDJHGPBJZ-CAFMPJKLSA-N
Compound name
(3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.20624 Da
Monoisotopic Mass

-8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.21352 236.9
[M+Na]+ 687.19546 235.1
[M-H]- 663.19896 229.2
[M+NH4]+ 682.24006 235.6
[M+K]+ 703.16940 237.0
[M+H-H2O]+ 647.20350 234.9
[M+HCOO]- 709.20444 237.5
[M+CH3COO]- 723.22009 241.6
[M+Na-2H]- 685.18091 262.6
[M]+ 664.20569 231.2
[M]- 664.20679 231.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.