CID 493785

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

Structural Information

Molecular Formula
C25H44IN3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[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/C25H44IN3O8SSi2/c1-15-13-29(22(31)28(8)20(15)30)21-18(36-40(11,12)24(5,6)7)25(17(27)19(26)38(32,33)37-25)16(35-21)14-34-39(9,10)23(2,3)4/h13,16,18,21H,14,27H2,1-12H3/t16-,18+,21-,25?/m1/s1
InChIKey
BIRHRYKGIRQHAT-KBZKRIEZSA-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]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

729.14325 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 730.15053 244.7
[M+Na]+ 752.13247 245.2
[M-H]- 728.13597 245.6
[M+NH4]+ 747.17707 247.5
[M+K]+ 768.10641 252.4
[M+H-H2O]+ 712.14051 239.5
[M+HCOO]- 774.14145 245.8
[M+CH3COO]- 788.15710 263.3
[M+Na-2H]- 750.11792 237.3
[M]+ 729.14270 253.8
[M]- 729.14380 253.8
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.