CID 468929

Pentofuranoside, methyl o-pentofuranosyl-(1->3)-o-[pentofuranosyl-(1->5)]-

Structural Information

Molecular Formula
C16H28O13
SMILES
COC1C(C(C(O1)COC2C(C(C(O2)CO)O)O)OC3C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C16H28O13/c1-24-14-12(23)13(29-16-11(22)9(20)6(3-18)27-16)7(28-14)4-25-15-10(21)8(19)5(2-17)26-15/h5-23H,2-4H2,1H3
InChIKey
CKAJBNYYPUVDOV-UHFFFAOYSA-N
Compound name
2-[[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-methoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.15298 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.16026 187.5
[M+Na]+ 451.14220 189.3
[M-H]- 427.14570 190.6
[M+NH4]+ 446.18680 193.7
[M+K]+ 467.11614 192.0
[M+H-H2O]+ 411.15024 185.4
[M+HCOO]- 473.15118 194.4
[M+CH3COO]- 487.16683 215.4
[M+Na-2H]- 449.12765 182.1
[M]+ 428.15243 190.6
[M]- 428.15353 190.6
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.