CID 91820083

Cmp-kdo8n

Structural Information

Molecular Formula
C17H27N4O14P
SMILES
C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)[C@@H](CN)O)O)O
InChI
InChI=1S/C17H27N4O14P/c18-4-7(23)13-10(24)6(22)3-17(34-13,15(27)28)35-36(30,31)32-5-8-11(25)12(26)14(33-8)21-2-1-9(19)20-16(21)29/h1-2,6-8,10-14,22-26H,3-5,18H2,(H,27,28)(H,30,31)(H2,19,20,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17+/m1/s1
InChIKey
DRAKZHNWGXXUTP-XKKDATLGSA-N
Compound name
(2S,4R,5R,6R)-6-[(1R)-2-amino-1-hydroxyethyl]-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

542.12616 Da
Monoisotopic Mass

-8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.13344 209.4
[M+Na]+ 565.11538 211.6
[M+NH4]+ 560.15998 210.3
[M+K]+ 581.08932 212.7
[M-H]- 541.11888 203.0
[M+Na-2H]- 563.10083 220.3
[M]+ 542.12561 208.1
[M]- 542.12671 208.1
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.