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]+ 433.170426 198.1
[M+Na]+ 455.152368 199.7
[M-H]- 431.155874 199.4
[M+NH4]+ 450.196973 199.9
[M+K]+ 471.126308 200.3
[M+H-H2O]+ 415.160410 189.4
[M+HCOO]- 477.161351 202.5
[M+CH3COO]- 491.177001 217.5
[M+Na-2H]- 453.137816 194.7
[M]+ 432.16260142 196.2
[M]- 432.16369858 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.