CID 168265122

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[[(2s,4s,5s,10s)-2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]tetrahydropyran-3,4,5-triol

Structural Information

Molecular Formula
C16H24O10
SMILES
CO[C@@H]1[C@H]2[C@](O2)(C3C1C=CO[C@H]3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO
InChI
InChI=1S/C16H24O10/c1-22-12-6-2-3-23-14(8(6)16(5-18)13(12)26-16)25-15-11(21)10(20)9(19)7(4-17)24-15/h2-3,6-15,17-21H,4-5H2,1H3/t6?,7-,8?,9-,10+,11-,12+,13+,14+,15+,16-/m1/s1
InChIKey
CQHVYUDLQLYNAI-DPTVYYOCSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2S,4S,5S,10S)-2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.13693 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14421 175.0
[M+Na]+ 399.12615 182.6
[M-H]- 375.12965 179.5
[M+NH4]+ 394.17075 181.4
[M+K]+ 415.10009 182.7
[M+H-H2O]+ 359.13419 171.8
[M+HCOO]- 421.13513 180.3
[M+CH3COO]- 435.15078 211.5
[M+Na-2H]- 397.11160 178.1
[M]+ 376.13638 181.9
[M]- 376.13748 181.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.