CID 475083

[tsao-t]-(ch2)4-[azt]

Structural Information

Molecular Formula
C38H62N8O12SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCN2C(=O)C(=CN(C2=O)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C)C)[C@H]5C[C@@H]([C@H](O5)CO)N=[N+]=[N-]
InChI
InChI=1S/C38H62N8O12SSi2/c1-23-18-45(29-17-25(41-42-40)26(20-47)55-29)34(50)43(31(23)48)15-13-14-16-44-32(49)24(2)19-46(35(44)51)33-30(57-61(11,12)37(6,7)8)38(27(39)22-59(52,53)58-38)28(56-33)21-54-60(9,10)36(3,4)5/h18-19,22,25-26,28-30,33,47H,13-17,20-21,39H2,1-12H3/t25-,26+,28+,29+,30-,33+,38?/m0/s1
InChIKey
OTOVPPUWTMTSBD-AVXHXCEASA-N
Compound name
3-[4-[3-[(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]-5-methyl-2,6-dioxopyrimidin-1-yl]butyl]-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

910.37463 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 911.38191 251.2
[M+Na]+ 933.36385 260.5
[M-H]- 909.36735 252.5
[M+NH4]+ 928.40845 256.2
[M+K]+ 949.33779 253.4
[M+H-H2O]+ 893.37189 242.6
[M+HCOO]- 955.37283 257.4
[M+CH3COO]- 969.38848 309.7
[M+Na-2H]- 931.34930 272.4
[M]+ 910.37408 281.3
[M]- 910.37518 281.3
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.