CID 455232

[1,7-bis-[2',5'-bis-o-(tert-butyldimethylsilyl)-.beta.-d-ribofuranosyl]hypoxanthine]-3'-spiro-5-(4-amino-1,2-oxathiole-2,2-dioxide)

Structural Information

Molecular Formula
C43H78N6O13S2Si4
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=NC4=C3C(=O)N(C=N4)[C@@H]5[C@@H](C6([C@H](O5)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O6)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C43H78N6O13S2Si4/c1-38(2,3)65(13,14)55-21-29-42(27(44)23-63(51,52)61-42)32(59-67(17,18)40(7,8)9)36(57-29)48-25-46-34-31(48)35(50)49(26-47-34)37-33(60-68(19,20)41(10,11)12)43(28(45)24-64(53,54)62-43)30(58-37)22-56-66(15,16)39(4,5)6/h23-26,29-30,32-33,36-37H,21-22,44-45H2,1-20H3/t29-,30-,32+,33+,36-,37+,42?,43?/m1/s1
InChIKey
JLMWTBOGGYCTQB-WFNBAUPRSA-N
Compound name
7-[(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]-1-[(6R,8S,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]purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

1062.4146 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1063.4219 237.1
[M+Na]+ 1085.4038 250.0
[M-H]- 1061.4073 241.5
[M+NH4]+ 1080.4484 243.0
[M+K]+ 1101.3778 242.9
[M+H-H2O]+ 1045.4119 230.3
[M+HCOO]- 1107.4128 244.5
[M+CH3COO]- 1121.4285 247.8
[M+Na-2H]- 1083.3893 244.2
[M]+ 1062.4141 254.8
[M]- 1062.4151 254.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.