CID 10794263

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

Structural Information

Molecular Formula
C27H47N3O9SSi2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=C(S(=O)(=O)O3)/C=C/CO)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H47N3O9SSi2/c1-17-15-30(24(33)29-22(17)32)23-21(38-42(10,11)26(5,6)7)27(19(37-23)16-36-41(8,9)25(2,3)4)20(28)18(13-12-14-31)40(34,35)39-27/h12-13,15,19,21,23,31H,14,16,28H2,1-11H3,(H,29,32,33)/b13-12+/t19-,21+,23-,27+/m1/s1
InChIKey
FRXZFZIGKFKFEX-OZKKROLDSA-N
Compound name
1-[(5R,6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-3-hydroxyprop-1-enyl]-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

645.25714 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.26442 238.8
[M+Na]+ 668.24636 243.6
[M-H]- 644.24986 243.4
[M+NH4]+ 663.29096 243.0
[M+K]+ 684.22030 244.4
[M+H-H2O]+ 628.25440 237.5
[M+HCOO]- 690.25534 241.1
[M+CH3COO]- 704.27099 258.7
[M+Na-2H]- 666.23181 243.1
[M]+ 645.25659 248.9
[M]- 645.25769 248.9
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.