CID 11295521

Dtdp-beta-l-olivose

Structural Information

Molecular Formula
C16H26N2O14P2
SMILES
C[C@H]1[C@H]([C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O
InChI
InChI=1S/C16H26N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-14,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,10-,11+,12+,13+,14+/m0/s1
InChIKey
GLUZBIYLBPDBPE-QUTCXQLSSA-N
Compound name
[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

18
Patents

532.08594 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.09322 208.0
[M+Na]+ 555.07516 210.8
[M-H]- 531.07866 203.7
[M+NH4]+ 550.11976 207.6
[M+K]+ 571.04910 206.3
[M+H-H2O]+ 515.08320 196.2
[M+HCOO]- 577.08414 210.2
[M+CH3COO]- 591.09979 236.1
[M+Na-2H]- 553.06061 214.2
[M]+ 532.08539 199.6
[M]- 532.08649 199.6
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.