PubChemLite - Laminaripentaose sulfate (C30H54O26)

Structural Information

Molecular Formula

SMILES

C(C1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(OC(C3O)OC4C(C(OC(C4O)OC(C(CO)O)C(C(CO)O)O)CO)O)CO)O)CO)O)O)O)O)O

InChI

InChI=1S/C30H54O26/c31-1-7(37)13(39)23(8(38)2-32)53-28-20(46)25(16(42)10(4-34)50-28)55-30-22(48)26(17(43)12(6-36)52-30)56-29-21(47)24(15(41)11(5-35)51-29)54-27-19(45)18(44)14(40)9(3-33)49-27/h7-48H,1-6H2

InChIKey

KVYKWLXIGWXBDC-UHFFFAOYSA-N

Compound name

4-[4-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	831.29762	264.2
[M+Na]+	853.27956	260.6
[M-H]-	829.28306	260.7
[M+NH4]+	848.32416	263.3
[M+K]+	869.25350	263.4
[M+H-H2O]+	813.28760	261.4
[M+HCOO]-	875.28854	264.5
[M+CH3COO]-	889.30419	267.8
[M+Na-2H]-	851.26501	292.7
[M]+	830.28979	260.1
[M]-	830.29089	260.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

831.29762

264.2

[M+Na]+

853.27956

260.6

[M-H]-

829.28306

260.7

[M+NH4]+

848.32416

263.3

[M+K]+

869.25350

263.4

[M+H-H2O]+

813.28760

261.4

[M+HCOO]-

875.28854

264.5

[M+CH3COO]-

889.30419

267.8

[M+Na-2H]-

851.26501

292.7

[M]+

830.28979

260.1

[M]-

830.29089

260.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Laminaripentaose sulfate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe