CID 90658702

Udp-l-fucnam

Structural Information

Molecular Formula
C17H28N4O15P2
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N=C(C)N)O)O
InChI
InChI=1S/C17H28N4O15P2/c1-6-11(23)13(25)10(19-7(2)18)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(22)20-17(21)27/h3-4,6,8,10-16,23-26H,5H2,1-2H3,(H2,18,19)(H,28,29)(H,30,31)(H,20,22,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1
InChIKey
UXKJBHSGCBKJOM-NAGKVERXSA-N
Compound name
[(2R,3S,4S,5S,6S)-3-(1-aminoethylideneamino)-4,5-dihydroxy-6-methyloxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

590.10266 Da
Monoisotopic Mass

-6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.10994 218.5
[M+Na]+ 613.09188 220.0
[M-H]- 589.09538 214.9
[M+NH4]+ 608.13648 218.3
[M+K]+ 629.06582 218.2
[M+H-H2O]+ 573.09992 206.6
[M+HCOO]- 635.10086 220.6
[M+CH3COO]- 649.11651 255.3
[M+Na-2H]- 611.07733 229.9
[M]+ 590.10211 214.6
[M]- 590.10321 214.6
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.