CID 90657607

Dtdp-alpha-d-fucofuranose

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]+ 549.088176 207.2
[M+Na]+ 571.070118 210.0
[M-H]- 547.073624 204.8
[M+NH4]+ 566.114723 207.4
[M+K]+ 587.044058 209.6
[M+H-H2O]+ 531.078160 195.4
[M+HCOO]- 593.079101 209.9
[M+CH3COO]- 607.094751 237.2
[M+Na-2H]- 569.055566 210.6
[M]+ 548.08035142 199.4
[M]- 548.08144858 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.