CID 3011333

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

Structural Information

Molecular Formula
C33H51N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)OCC2=CC=CC=C2)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C33H51N3O10SSi2/c1-22-17-36(30(39)35(28(22)38)18-26(37)42-19-23-15-13-12-14-16-23)29-27(45-49(10,11)32(5,6)7)33(24(34)21-47(40,41)46-33)25(44-29)20-43-48(8,9)31(2,3)4/h12-17,21,25,27,29H,18-20,34H2,1-11H3/t25-,27+,29-,33?/m1/s1
InChIKey
YXCFCAIRWLICLT-NZWJXFNHSA-N
Compound name
benzyl 2-[3-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

737.2834 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 738.29068 258.0
[M+Na]+ 760.27262 261.4
[M-H]- 736.27612 268.0
[M+NH4]+ 755.31722 259.0
[M+K]+ 776.24656 265.0
[M+H-H2O]+ 720.28066 254.4
[M+HCOO]- 782.28160 261.8
[M+CH3COO]- 796.29725 278.1
[M+Na-2H]- 758.25807 242.4
[M]+ 737.28285 271.6
[M]- 737.28395 271.6
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.