CID 10700773

D4t-n3-propyl-n3-tsao-t

Structural Information

Molecular Formula
C37H59N5O12SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCN2C(=O)C(=CN(C2=O)[C@H]3[C@@H]([C@]4([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)C)[C@H]5C=C[C@H](O5)CO
InChI
InChI=1S/C37H59N5O12SSi2/c1-23-18-41(28-15-14-25(20-43)51-28)33(46)39(30(23)44)16-13-17-40-31(45)24(2)19-42(34(40)47)32-29(53-57(11,12)36(6,7)8)37(26(38)22-55(48,49)54-37)27(52-32)21-50-56(9,10)35(3,4)5/h14-15,18-19,22,25,27-29,32,43H,13,16-17,20-21,38H2,1-12H3/t25-,27+,28+,29-,32+,37+/m0/s1
InChIKey
KIKFZXLPQUHFDS-CDTRDKFKSA-N
Compound name
3-[3-[3-[(5R,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]propyl]-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

853.3419 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 854.34918 238.4
[M+Na]+ 876.33112 248.6
[M-H]- 852.33462 238.4
[M+NH4]+ 871.37572 242.1
[M+K]+ 892.30506 238.2
[M+H-H2O]+ 836.33916 228.1
[M+HCOO]- 898.34010 243.7
[M+CH3COO]- 912.35575 247.4
[M+Na-2H]- 874.31657 245.9
[M]+ 853.34135 253.2
[M]- 853.34245 253.2
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.