CID 92042786

Alpha-d-sedoheptulopyranose 7-phosphate

Structural Information

Molecular Formula
C7H15O10P
SMILES
C([C@@H]1[C@H]([C@H]([C@@H]([C@@](O1)(CO)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7+/m1/s1
InChIKey
CBIDVWSRUUODHL-OVHBTUCOSA-N
Compound name
[(2R,3S,4R,5S,6S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

290.04028 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04756 158.4
[M+Na]+ 313.02950 163.5
[M-H]- 289.03300 152.1
[M+NH4]+ 308.07410 170.1
[M+K]+ 329.00344 164.0
[M+H-H2O]+ 273.03754 152.6
[M+HCOO]- 335.03848 172.9
[M+CH3COO]- 349.05413 184.7
[M+Na-2H]- 311.01495 160.4
[M]+ 290.03973 157.6
[M]- 290.04083 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.