CID 46173802

Dtdp-5,5-di-c-methyl-beta-l-lyxose(2-)

Structural Information

Molecular Formula
C17H28N2O15P2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@@H]([C@H](C(O3)(C)C)O)O)O)O
InChI
InChI=1S/C17H28N2O15P2/c1-7-5-19(16(25)18-14(7)24)10-4-8(20)9(31-10)6-30-35(26,27)34-36(28,29)33-15-12(22)11(21)13(23)17(2,3)32-15/h5,8-13,15,20-23H,4,6H2,1-3H3,(H,26,27)(H,28,29)(H,18,24,25)/t8-,9+,10+,11-,12+,13+,15+/m0/s1
InChIKey
DVDRTBMEUQUIJJ-FNTRQBMGSA-N
Compound name
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2R,3R,4R,5R)-3,4,5-trihydroxy-6,6-dimethyloxan-2-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

562.0965 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.10378 204.8
[M+Na]+ 585.08572 208.1
[M-H]- 561.08922 201.2
[M+NH4]+ 580.13032 204.7
[M+K]+ 601.05966 202.3
[M+H-H2O]+ 545.09376 193.8
[M+HCOO]- 607.09470 207.4
[M+CH3COO]- 621.11035 241.3
[M+Na-2H]- 583.07117 212.7
[M]+ 562.09595 196.5
[M]- 562.09705 196.5
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

patents stripe