CID 86289952

(r)-3,5-bisphosphomevalonate

Structural Information

Molecular Formula
C6H14O10P2
SMILES
C[C@@](CCOP(=O)(O)O)(CC(=O)O)OP(=O)(O)O
InChI
InChI=1S/C6H14O10P2/c1-6(4-5(7)8,16-18(12,13)14)2-3-15-17(9,10)11/h2-4H2,1H3,(H,7,8)(H2,9,10,11)(H2,12,13,14)/t6-/m1/s1
InChIKey
DKXZSGIZFNWMLJ-ZCFIWIBFSA-N
Compound name
(3R)-3-methyl-3,5-diphosphonooxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.