CID 11650605

Acetic acid, [[(5r,6r,8r,9r)-8-(3,4-dihydro-3,5-dimethyl-2,4-dioxo-1(2h)-pyrimidinyl)-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[dimethyl(1,1,2-trimethylpropyl)silyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-4-yl]amino]oxo-, methyl ester

Structural Information

Molecular Formula
C30H51N3O11SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C(C)C)C(=CS(=O)(=O)O3)NC(=O)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H51N3O11SSi2/c1-18(2)29(7,8)47(13,14)41-16-21-30(20(17-45(38,39)44-30)31-23(34)26(36)40-10)22(43-46(11,12)28(4,5)6)25(42-21)33-15-19(3)24(35)32(9)27(33)37/h15,17-18,21-22,25H,16H2,1-14H3,(H,31,34)/t21-,22+,25-,30-/m1/s1
InChIKey
FAAPVCPWYDJFKI-IOMBEJSISA-N
Compound name
methyl 2-[[(5R,6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-yl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

717.27826 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 718.28554 243.5
[M+Na]+ 740.26748 246.3
[M-H]- 716.27098 250.8
[M+NH4]+ 735.31208 245.9
[M+K]+ 756.24142 251.9
[M+H-H2O]+ 700.27552 243.1
[M+HCOO]- 762.27646 246.3
[M+CH3COO]- 776.29211 276.1
[M+Na-2H]- 738.25293 230.3
[M]+ 717.27771 230.9
[M]- 717.27881 230.9
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.