CID 488484

Chembl3142815

Structural Information

Molecular Formula
C30H58N2O8Si3
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H58N2O8Si3/c1-20-17-32(27(36)31(25(20)35)18-22(33)34)26-24(40-43(15,16)30(8,9)10)23(39-42(13,14)29(5,6)7)21(38-26)19-37-41(11,12)28(2,3)4/h17,21,23-24,26H,18-19H2,1-16H3,(H,33,34)/t21-,23-,24-,26-/m1/s1
InChIKey
HSRHKBARXBESOI-IGGXFAESSA-N
Compound name
2-[3-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

658.3501 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.35738 226.1
[M+Na]+ 681.33932 237.2
[M-H]- 657.34282 236.3
[M+NH4]+ 676.38392 241.5
[M+K]+ 697.31326 237.6
[M+H-H2O]+ 641.34736 238.0
[M+HCOO]- 703.34830 255.0
[M+CH3COO]- 717.36395 266.3
[M+Na-2H]- 679.32477 245.3
[M]+ 658.34955 237.6
[M]- 658.35065 237.6
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.