CID 16727528

Pentadecaphosphate

Structural Information

Molecular Formula
H17O46P15
SMILES
OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/H17O46P15/c1-47(2,3)33-49(7,8)35-51(11,12)37-53(15,16)39-55(19,20)41-57(23,24)43-59(27,28)45-61(31,32)46-60(29,30)44-58(25,26)42-56(21,22)40-54(17,18)38-52(13,14)36-50(9,10)34-48(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,1,2,3)(H2,4,5,6)
InChIKey
NXNVLMOFLGVRFT-UHFFFAOYSA-N
Compound name
bis[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

1217.5055 Da
Monoisotopic Mass

-17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1218.5128 262.4
[M+Na]+ 1240.4947 269.6
[M-H]- 1216.4982 274.0
[M+NH4]+ 1235.5393 265.9
[M+K]+ 1256.4687 262.4
[M+H-H2O]+ 1200.5028 261.6
[M+HCOO]- 1262.5037 267.4
[M+CH3COO]- 1276.5194 269.3
[M+Na-2H]- 1238.4802 286.6
[M]+ 1217.5050 236.8
[M]- 1217.5060 236.8
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.