CID 154699666

Ns00117413

Structural Information

Molecular Formula
C28H30N2O11
SMILES
CC1=CC(=NC(=N1)O[C@H](C(=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(C3=CC=CC=C3)(C4=CC=CC=C4)OC)CO
InChI
InChI=1S/C28H30N2O11/c1-15-13-18(14-31)30-27(29-15)40-23(25(37)41-26-21(34)19(32)20(33)22(39-26)24(35)36)28(38-2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,19-23,26,31-34H,14H2,1-2H3,(H,35,36)/t19-,20-,21+,22-,23+,26?/m0/s1
InChIKey
HYNPRXQATWYSER-KFXNSFBMSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(2S)-2-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]oxy-3-methoxy-3,3-diphenylpropanoyl]oxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

570.18494 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.19222 228.8
[M+Na]+ 593.17416 237.2
[M+NH4]+ 588.21876 228.1
[M+K]+ 609.14810 237.8
[M-H]- 569.17766 230.3
[M+Na-2H]- 591.15961 231.2
[M]+ 570.18439 229.8
[M]- 570.18549 229.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.