CID 90657317

Octose 1-phosphate

Structural Information

Molecular Formula
C8H17O11P
SMILES
C([C@H]([C@H](C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O)O)O
InChI
InChI=1S/C8H17O11P/c9-1-2(10)3(11)7-5(13)4(12)6(14)8(18-7)19-20(15,16)17/h2-14H,1H2,(H2,15,16,17)/t2-,3-,4+,5+,6-,7?,8-/m1/s1
InChIKey
LQHWLLHAURDBAQ-DYFRRQRXSA-N
Compound name
[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

320.05084 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05812 165.3
[M+Na]+ 343.04006 167.6
[M-H]- 319.04356 157.2
[M+NH4]+ 338.08466 172.6
[M+K]+ 359.01400 169.1
[M+H-H2O]+ 303.04810 157.9
[M+HCOO]- 365.04904 176.2
[M+CH3COO]- 379.06469 191.3
[M+Na-2H]- 341.02551 162.4
[M]+ 320.05029 162.6
[M]- 320.05139 162.6
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.