CID 475081

[tsao-t]-(ch2)7-[dthd]

Structural Information

Molecular Formula
C41H69N5O13SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCCN2C(=O)C(=CN(C2=O)C3CC(C(O3)CO)O)C)[C@H]4[C@@H](C5([C@H](O4)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O5)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C41H69N5O13SSi2/c1-26-21-45(32-20-28(48)29(23-47)56-32)37(51)43(34(26)49)18-16-14-13-15-17-19-44-35(50)27(2)22-46(38(44)52)36-33(58-62(11,12)40(6,7)8)41(30(42)25-60(53,54)59-41)31(57-36)24-55-61(9,10)39(3,4)5/h21-22,25,28-29,31-33,36,47-48H,13-20,23-24,42H2,1-12H3/t28?,29?,31-,32?,33+,36-,41?/m1/s1
InChIKey
CADSVDXQPVZUOZ-QVELVCFISA-N
Compound name
3-[7-[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]heptyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

927.4151 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 928.42238 252.3
[M+Na]+ 950.40432 261.8
[M-H]- 926.40782 251.9
[M+NH4]+ 945.44892 255.5
[M+K]+ 966.37826 251.6
[M+H-H2O]+ 910.41236 242.1
[M+HCOO]- 972.41330 256.9
[M+CH3COO]- 986.42895 260.3
[M+Na-2H]- 948.38977 260.7
[M]+ 927.41455 265.4
[M]- 927.41565 265.4
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.