CID 5273565

(1r)-1,4-anhydro-2-deoxy-5-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-1-phenyl-d-erythro-pentitol

Structural Information

Molecular Formula
C11H17O12P3
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CC=CC=C2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C11H17O12P3/c12-9-6-10(8-4-2-1-3-5-8)21-11(9)7-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-5,9-12H,6-7H2,(H,16,17)(H,18,19)(H2,13,14,15)/t9-,10+,11+/m0/s1
InChIKey
XNKURTYISKMSJH-HBNTYKKESA-N
Compound name
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-phenyloxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.9933 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.00058 186.4
[M+Na]+ 456.98252 187.4
[M-H]- 432.98602 183.2
[M+NH4]+ 452.02712 175.5
[M+K]+ 472.95646 190.9
[M+H-H2O]+ 416.99056 174.0
[M+HCOO]- 478.99150 202.7
[M+CH3COO]- 493.00715 212.7
[M+Na-2H]- 454.96797 190.1
[M]+ 433.99275 189.3
[M]- 433.99385 189.3
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.