CID 92024375

Refchem:770055

Structural Information

Molecular Formula
C30H52O26
SMILES
C(C1C(C(C(C(O1)OC2(C(C(C(O2)COC3(C(C(C(O3)CO)O)O)CO)O)O)COC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)CO)O)O)O)O
InChI
InChI=1S/C30H52O26/c31-1-10-15(37)20(42)21(43)26(51-10)56-30(25(47)19(41)14(55-30)5-48-27(6-35)22(44)16(38)11(2-32)52-27)9-50-29(24(46)18(40)13(4-34)54-29)8-49-28(7-36)23(45)17(39)12(3-33)53-28/h10-26,31-47H,1-9H2
InChIKey
VYSWEVWBWJBBHH-UHFFFAOYSA-N
Compound name
2-[5-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-2-[[2-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

460
Patents

828.27466 Da
Monoisotopic Mass

-9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.28194 255.4
[M+Na]+ 851.26388 254.7
[M-H]- 827.26738 255.1
[M+NH4]+ 846.30848 256.1
[M+K]+ 867.23782 268.4
[M+H-H2O]+ 811.27192 254.8
[M+HCOO]- 873.27286 257.2
[M+CH3COO]- 887.28851 260.5
[M+Na-2H]- 849.24933 269.4
[M]+ 828.27411 244.6
[M]- 828.27521 244.6
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.