CID 90657607

Dtdp-alpha-d-fucofuranose(2-)

Structural Information

Molecular Formula
C16H26N2O15P2
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](O3)C(C)O)O)O)O
InChI
InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(20)9(30-10)5-29-34(25,26)33-35(27,28)32-15-12(22)11(21)13(31-15)7(2)19/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7?,8-,9+,10+,11+,12+,13-,15-/m0/s1
InChIKey
NPFKVELMLMVECN-XDLUZWQFSA-N
Compound name
[(2S,3R,4R,5S)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-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

548.0809 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.08818 207.2
[M+Na]+ 571.07012 210.0
[M-H]- 547.07362 204.8
[M+NH4]+ 566.11472 207.4
[M+K]+ 587.04406 209.6
[M+H-H2O]+ 531.07816 195.4
[M+HCOO]- 593.07910 209.9
[M+CH3COO]- 607.09475 237.2
[M+Na-2H]- 569.05557 210.6
[M]+ 548.08035 199.4
[M]- 548.08145 199.4
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.