CID 92024375

Sinistrin

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 256.9
[M+Na]+ 851.26388 255.9
[M+NH4]+ 846.30848 256.3
[M+K]+ 867.23782 261.5
[M-H]- 827.26738 249.8
[M+Na-2H]- 849.24933 264.1
[M]+ 828.27411 254.7
[M]- 828.27521 254.7
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

patents stripe