CID 44224013

1-alpha-d-galactosyl-sn-glycerol 3-phosphate(2-)

Structural Information

Molecular Formula
C9H19O11P
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@H](COP(=O)(O)O)O)O)O)O)O
InChI
InChI=1S/C9H19O11P/c10-1-5-6(12)7(13)8(14)9(20-5)18-2-4(11)3-19-21(15,16)17/h4-14H,1-3H2,(H2,15,16,17)/t4-,5-,6+,7+,8-,9+/m1/s1
InChIKey
VFHNNRXYOUPLDR-XIBIAKPJSA-N
Compound name
[(2R)-2-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

334.0665 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07378 168.7
[M+Na]+ 357.05572 170.9
[M+NH4]+ 352.10032 168.4
[M+K]+ 373.02966 175.0
[M-H]- 333.05922 162.1
[M+Na-2H]- 355.04117 162.8
[M]+ 334.06595 166.0
[M]- 334.06705 166.0
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

patents stripe