CID 90658186

3-deoxy-d-glycero-beta-d-galacto-nonulosonate 9-phosphate(3-)

Structural Information

Molecular Formula
C9H17O12P
SMILES
C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](COP(=O)(O)O)O)O)O)O
InChI
InChI=1S/C9H17O12P/c10-3-1-9(16,8(14)15)21-7(5(3)12)6(13)4(11)2-20-22(17,18)19/h3-7,10-13,16H,1-2H2,(H,14,15)(H2,17,18,19)/t3-,4+,5+,6+,7+,9-/m0/s1
InChIKey
KIZXPTJSEKWTPW-YOQZMRDMSA-N
Compound name
(2S,4S,5R,6R)-6-[(1R,2R)-1,2-dihydroxy-3-phosphonooxypropyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

348.04578 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05306 168.3
[M+Na]+ 371.03500 168.6
[M+NH4]+ 366.07960 167.9
[M+K]+ 387.00894 173.3
[M-H]- 347.03850 159.9
[M+Na-2H]- 369.02045 162.9
[M]+ 348.04523 164.7
[M]- 348.04633 164.7
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.