CID 54588925

Udp-2,4-diacetamido-2,4,6-trideoxy-beta-l-altrose(2-)

Structural Information

Molecular Formula
C19H30N4O16P2
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)NC(=O)C)O)NC(=O)C
InChI
InChI=1S/C19H30N4O16P2/c1-7-12(20-8(2)24)15(28)13(21-9(3)25)18(36-7)38-41(33,34)39-40(31,32)35-6-10-14(27)16(29)17(37-10)23-5-4-11(26)22-19(23)30/h4-5,7,10,12-18,27-29H,6H2,1-3H3,(H,20,24)(H,21,25)(H,31,32)(H,33,34)(H,22,26,30)/t7-,10+,12-,13+,14+,15-,16+,17+,18+/m0/s1
InChIKey
KCAODEOZHCZEBC-SXTUWYCGSA-N
Compound name
[(2R,3R,4S,5R,6S)-3,5-diacetamido-4-hydroxy-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

3
References

44
Patents

632.1132 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.12048 224.9
[M+Na]+ 655.10242 225.8
[M-H]- 631.10592 222.5
[M+NH4]+ 650.14702 224.8
[M+K]+ 671.07636 223.2
[M+H-H2O]+ 615.11046 212.7
[M+HCOO]- 677.11140 226.9
[M+CH3COO]- 691.12705 263.4
[M+Na-2H]- 653.08787 237.3
[M]+ 632.11265 222.2
[M]- 632.11375 222.2
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