CID 139587977

Glucosylsucrose derivative 2

Structural Information

Molecular Formula
C24H42O21
SMILES
C(C1[C@@H]([C@H]([C@](O1)(CO)OC2C(C(C(C(O2)CO)O)O)O[C@@H]3[C@H](C([C@@H](C(O3)CO)O)O)O[C@@H]4C(C([C@@H](C(O4)CO)O)O)O)O)O)O
InChI
InChI=1S/C24H42O21/c25-1-6-10(30)14(34)17(37)21(39-6)42-18-15(35)11(31)7(2-26)40-22(18)43-19-16(36)12(32)8(3-27)41-23(19)45-24(5-29)20(38)13(33)9(4-28)44-24/h6-23,25-38H,1-5H2/t6?,7?,8?,9?,10-,11-,12?,13+,14?,15?,16?,17?,18+,19?,20-,21-,22-,23?,24+/m1/s1
InChIKey
RHXCTYFNNJCGHX-UUICYSAOSA-N
Compound name
(2R,5S)-2-[(2R,3S,5S)-2-[2-[(2S,3R,4R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

666.22186 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.22914 235.1
[M+Na]+ 689.21108 234.0
[M-H]- 665.21458 228.8
[M+NH4]+ 684.25568 234.4
[M+K]+ 705.18502 239.2
[M+H-H2O]+ 649.21912 232.6
[M+HCOO]- 711.22006 236.2
[M+CH3COO]- 725.23571 240.3
[M+Na-2H]- 687.19653 257.5
[M]+ 666.22131 228.0
[M]- 666.22241 228.0
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.