CID 439418

(r)-5-diphosphomevalonic acid

Structural Information

Molecular Formula
C6H14O10P2
SMILES
C[C@@](CCOP(=O)(O)OP(=O)(O)O)(CC(=O)O)O
InChI
InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m1/s1
InChIKey
SIGQQUBJQXSAMW-ZCFIWIBFSA-N
Compound name
(3R)-3-hydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxy-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

35
References

1134
Patents

308.00623 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.01351 159.0
[M+Na]+ 330.99545 159.0
[M-H]- 306.99895 160.8
[M+NH4]+ 326.04005 158.7
[M+K]+ 346.96939 149.7
[M+H-H2O]+ 291.00349 138.9
[M+HCOO]- 353.00443 174.3
[M+CH3COO]- 367.02008 190.3
[M+Na-2H]- 328.98090 146.5
[M]+ 308.00568 156.2
[M]- 308.00678 156.2
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

patents stripe