CID 53262310

2-o-[alpha-d-mannopyranosyl-(1->2)-alpha-d-glucopyranosyl]-3-o-phosphonato-d-glycerate(3-)

Structural Information

Molecular Formula
C15H27O17P
SMILES
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@H](COP(=O)(O)O)C(=O)O)CO)O)O)O)O)O)O
InChI
InChI=1S/C15H27O17P/c16-1-4-7(18)9(20)11(22)14(29-4)32-12-10(21)8(19)5(2-17)30-15(12)31-6(13(23)24)3-28-33(25,26)27/h4-12,14-22H,1-3H2,(H,23,24)(H2,25,26,27)/t4-,5-,6-,7-,8-,9+,10+,11+,12-,14-,15-/m1/s1
InChIKey
JGKAZLJSKYSZED-MQZSKFSESA-N
Compound name
(2R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-phosphonooxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

510.09857 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.10585 204.7
[M+Na]+ 533.08779 205.5
[M+NH4]+ 528.13239 204.3
[M+K]+ 549.06173 208.5
[M-H]- 509.09129 196.8
[M+Na-2H]- 531.07324 219.7
[M]+ 510.09802 201.9
[M]- 510.09912 201.9
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.