CID 49859674

3-o-(6-o-alpha-d-xylosylphospho-alpha-d-mannopyranosyl)-alpha-d-mannopyranose(1-)

Structural Information

Molecular Formula
C17H31O18P
SMILES
C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O[C@H]3[C@@H]([C@H](O[C@@H]([C@H]3O)O)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C17H31O18P/c18-1-5-9(22)14(13(26)15(27)32-5)34-17-12(25)10(23)8(21)6(33-17)3-31-36(28,29)35-16-11(24)7(20)4(19)2-30-16/h4-27H,1-3H2,(H,28,29)/t4-,5-,6-,7+,8-,9-,10+,11-,12+,13+,14+,15+,16-,17-/m1/s1
InChIKey
VKSIIEJIUCAGDU-INGYFCGZSA-N
Compound name
[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3S,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

554.1248 Da
Monoisotopic Mass

-7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.13208 215.6
[M+Na]+ 577.11402 214.7
[M-H]- 553.11752 209.3
[M+NH4]+ 572.15862 214.4
[M+K]+ 593.08796 215.2
[M+H-H2O]+ 537.12206 209.5
[M+HCOO]- 599.12300 216.9
[M+CH3COO]- 613.13865 221.6
[M+Na-2H]- 575.09947 236.5
[M]+ 554.12425 206.3
[M]- 554.12535 206.3
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.