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 206.9
[M+Na]+ 585.08572 208.7
[M+NH4]+ 580.13032 206.6
[M+K]+ 601.05966 211.4
[M-H]- 561.08922 199.6
[M+Na-2H]- 583.07117 214.0
[M]+ 562.09595 204.3
[M]- 562.09705 204.3
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