CID 493781

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

Structural Information

Molecular Formula
C29H51N5O10SSi2
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)CC(=O)N)NCC(=O)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C29H51N5O10SSi2/c1-17-15-34(26(38)33(8)24(17)37)25-23(43-47(11,12)28(5,6)7)29(19(42-25)16-41-46(9,10)27(2,3)4)22(32-14-21(31)36)18(13-20(30)35)45(39,40)44-29/h15,19,23,25,32H,13-14,16H2,1-12H3,(H2,30,35)(H2,31,36)/t19-,23+,25-,29?/m1/s1
InChIKey
OYDLSDANBNZGBF-DGDWNRMXSA-N
Compound name
2-[(6R,8R,9R)-4-[(2-amino-2-oxoethyl)amino]-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

717.2895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 718.29678 226.4
[M+Na]+ 740.27872 234.6
[M-H]- 716.28222 227.3
[M+NH4]+ 735.32332 230.1
[M+K]+ 756.25266 225.9
[M+H-H2O]+ 700.28676 214.6
[M+HCOO]- 762.28770 232.0
[M+CH3COO]- 776.30335 283.5
[M+Na-2H]- 738.26417 244.5
[M]+ 717.28895 244.7
[M]- 717.29005 244.7
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.