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 213.7
[M+Na]+ 577.11402 213.5
[M+NH4]+ 572.15862 212.6
[M+K]+ 593.08796 218.7
[M-H]- 553.11752 205.2
[M+Na-2H]- 575.09947 229.1
[M]+ 554.12425 210.4
[M]- 554.12535 210.4
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.