CID 73157713

Benzyl b-sophoropyranoside

Structural Information

Molecular Formula
C19H28O11
SMILES
C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2
InChIKey
WKXRKKUZTXIFJY-UHFFFAOYSA-N
Compound name
2-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.16315 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.17043 198.1
[M+Na]+ 455.15237 199.7
[M-H]- 431.15587 199.4
[M+NH4]+ 450.19697 199.9
[M+K]+ 471.12631 200.3
[M+H-H2O]+ 415.16041 189.4
[M+HCOO]- 477.16135 202.5
[M+CH3COO]- 491.17700 217.5
[M+Na-2H]- 453.13782 194.7
[M]+ 432.16260 196.2
[M]- 432.16370 196.2
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.