CID 22833608

(2r,3s,4s,5s)-5-[[(2s,3s,4s,5r)-5-[[(2r,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]methoxy]-2-(hydroxymethyl)oxolane-2,3,4-triol

Structural Information

Molecular Formula
C18H32O16
SMILES
C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)CO[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O)O)O)O
InChI
InChI=1S/C18H32O16/c19-1-7-9(23)14(28)18(5-22,33-7)31-2-8-10(24)12(26)16(3-20,32-8)6-30-15-11(25)13(27)17(29,4-21)34-15/h7-15,19-29H,1-6H2/t7-,8-,9-,10-,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1
InChIKey
AIHDCSAXVMAMJH-GFBKWZILSA-N
Compound name
(2R,3S,4S,5S)-5-[[(2S,3S,4S,5R)-5-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]methoxy]-2-(hydroxymethyl)oxolane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15371
Patents

504.16904 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.17632 206.4
[M+Na]+ 527.15826 205.7
[M+NH4]+ 522.20286 204.9
[M+K]+ 543.13220 209.4
[M-H]- 503.16176 197.4
[M+Na-2H]- 525.14371 211.3
[M]+ 504.16849 202.7
[M]- 504.16959 202.7
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

patents stripe