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]+ 667.229136 235.1
[M+Na]+ 689.211078 234.0
[M-H]- 665.214584 228.8
[M+NH4]+ 684.255683 234.4
[M+K]+ 705.185018 239.2
[M+H-H2O]+ 649.219120 232.6
[M+HCOO]- 711.220061 236.2
[M+CH3COO]- 725.235711 240.3
[M+Na-2H]- 687.196526 257.5
[M]+ 666.22131142 228.0
[M]- 666.22240858 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.