CID 493784

[1-[2',5'-bis-o-(tert-butyldimethylsilyl)-.beta.-d-ribofuranosyl]thymine]-3'-spiro-5""-(4""-amino-3""-iodo-1"",2""-oxathiole-2"",2""-dioxide)

Structural Information

Molecular Formula
C24H42IN3O8SSi2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=C(S(=O)(=O)O3)I)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H42IN3O8SSi2/c1-14-12-28(21(30)27-19(14)29)20-17(35-39(10,11)23(5,6)7)24(16(26)18(25)37(31,32)36-24)15(34-20)13-33-38(8,9)22(2,3)4/h12,15,17,20H,13,26H2,1-11H3,(H,27,29,30)/t15-,17+,20-,24?/m1/s1
InChIKey
FVRQVZYPSNYTBT-PGCSCVJBSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-iodo-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

715.12756 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 716.13484 244.0
[M+Na]+ 738.11678 243.7
[M-H]- 714.12028 243.5
[M+NH4]+ 733.16138 246.4
[M+K]+ 754.09072 250.4
[M+H-H2O]+ 698.12482 238.7
[M+HCOO]- 760.12576 244.0
[M+CH3COO]- 774.14141 257.7
[M+Na-2H]- 736.10223 236.7
[M]+ 715.12701 250.8
[M]- 715.12811 250.8
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.