CID 443215

Dtdp-4-keto-5-methyl-beta-l-rhamnose

Structural Information

Molecular Formula
C17H26N2O15P2
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(=O)C(O3)(C)C)O)O)O
InChI
InChI=1S/C17H26N2O15P2/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/h5,8-12,15,20-22H,4,6H2,1-3H3,(H,26,27)(H,28,29)(H,18,24,25)/t8-,9+,10+,11-,12+,15+/m0/s1
InChIKey
BZFIQNRMGGOSLJ-XGBCXMNYSA-N
Compound name
[(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-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

1
References

0
Patents

560.0809 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.08818 206.2
[M+Na]+ 583.07012 208.0
[M+NH4]+ 578.11472 205.9
[M+K]+ 599.04406 210.7
[M-H]- 559.07362 199.0
[M+Na-2H]- 581.05557 213.6
[M]+ 560.08035 203.6
[M]- 560.08145 203.6
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.