CID 46173726

Chebi:190126

Structural Information

Molecular Formula
C5H12O10P2
SMILES
C1[C@@H]([C@H](O[C@@H]1OP(=O)(O)O)COP(=O)(O)O)O
InChI
InChI=1S/C5H12O10P2/c6-3-1-5(15-17(10,11)12)14-4(3)2-13-16(7,8)9/h3-6H,1-2H2,(H2,7,8,9)(H2,10,11,12)/t3-,4+,5+/m0/s1
InChIKey
GBXLSZYXQQKEER-VPENINKCSA-N
Compound name
[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.99057 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.99785 156.8
[M+Na]+ 316.97979 161.2
[M-H]- 292.98329 151.8
[M+NH4]+ 312.02439 169.4
[M+K]+ 332.95373 163.1
[M+H-H2O]+ 276.98783 148.3
[M+HCOO]- 338.98877 180.8
[M+CH3COO]- 353.00442 186.5
[M+Na-2H]- 314.96524 159.2
[M]+ 293.99002 158.9
[M]- 293.99112 158.9
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.