CID 5271665

[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] n-[[(2r,3r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-diisopropoxy-tetrahydrofuran-2-yl]methoxysulfonyl]carbamate

Structural Information

Molecular Formula
C22H35N3O15S
SMILES
CC(C)O[C@@H]1[C@H](O[C@H](C1OC(C)C)N2C=CC(=O)NC2=O)COS(=O)(=O)NC(=O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C22H35N3O15S/c1-9(2)36-17-12(38-19(18(17)37-10(3)4)25-6-5-13(27)23-21(25)31)8-35-41(33,34)24-22(32)40-20-16(30)15(29)14(28)11(7-26)39-20/h5-6,9-12,14-20,26,28-30H,7-8H2,1-4H3,(H,24,32)(H,23,27,31)/t11-,12-,14-,15+,16-,17-,18?,19-,20-/m1/s1
InChIKey
UBCYMKGYJHKDPA-HNGCYZMPSA-N
Compound name
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-[[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-di(propan-2-yloxy)oxolan-2-yl]methoxysulfonyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

613.1789 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 614.18618 227.7
[M+Na]+ 636.16812 229.8
[M-H]- 612.17162 223.6
[M+NH4]+ 631.21272 228.2
[M+K]+ 652.14206 224.9
[M+H-H2O]+ 596.17616 215.9
[M+HCOO]- 658.17710 230.1
[M+CH3COO]- 672.19275 255.8
[M+Na-2H]- 634.15357 242.7
[M]+ 613.17835 236.8
[M]- 613.17945 236.8
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.