CID 15519420

Dtdp-3-amino-4-dehydro-2,3,6-trideoxy-alpha-d-glucose

Structural Information

Molecular Formula
C16H25N3O13P2
SMILES
C[C@@H]1C(=O)[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)N
InChI
InChI=1S/C16H25N3O13P2/c1-7-5-19(16(23)18-15(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-3-9(17)14(21)8(2)29-13/h5,8-13,20H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9-,10+,11-,12-,13-/m1/s1
InChIKey
IVWGOICUSBJICO-OJEZURLMSA-N
Compound name
[(2R,4R,6R)-4-amino-6-methyl-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

3
References

1
Patents

529.08624 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.09352 209.3
[M+Na]+ 552.07546 212.1
[M-H]- 528.07896 205.1
[M+NH4]+ 547.12006 209.1
[M+K]+ 568.04940 208.2
[M+H-H2O]+ 512.08350 197.3
[M+HCOO]- 574.08444 211.7
[M+CH3COO]- 588.10009 241.7
[M+Na-2H]- 550.06091 217.3
[M]+ 529.08569 203.6
[M]- 529.08679 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

patents stripe