CID 134814783
G3-s16 and tenofovir
Structural Information
- Molecular Formula
- C144H316O48S32Si13
- SMILES
- C[Si](CCC[Si](C)(CCCSCCCS(=O)(=O)O)CCCSCCCS(=O)(=O)O)(CCC[Si](C)(CCCSCCCS(=O)(=O)O)CCCSCCCS(=O)(=O)O)CCC[Si](CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)(=O)O)CCCSCCCS(=O)(=O)O)CCC[Si](C)(CCCSCCCS(=O)(=O)O)CCCSCCCS(=O)(=O)O)(CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)(=O)O)CCCSCCCS(=O)(=O)O)CCC[Si](C)(CCCSCCCS(=O)(=O)O)CCCSCCCS(=O)(=O)O)CCC[Si](C)(CCC[Si](C)(CCCSCCCS(=O)(=O)O)CCCSCCCS(=O)(=O)O)CCC[Si](C)(CCCSCCCS(=O)(=O)O)CCCSCCCS(=O)(=O)O
- InChI
- InChI=1S/C144H316O48S32Si13/c1-225(105-29-73-193-57-13-89-209(145,146)147,106-30-74-194-58-14-90-210(148,149)150)121-45-129-233(9,130-46-122-226(2,107-31-75-195-59-15-91-211(151,152)153)108-32-76-196-60-16-92-212(154,155)156)137-53-141-237(142-54-138-234(10,131-47-123-227(3,109-33-77-197-61-17-93-213(157,158)159)110-34-78-198-62-18-94-214(160,161)162)132-48-124-228(4,111-35-79-199-63-19-95-215(163,164)165)112-36-80-200-64-20-96-216(166,167)168,143-55-139-235(11,133-49-125-229(5,113-37-81-201-65-21-97-217(169,170)171)114-38-82-202-66-22-98-218(172,173)174)134-50-126-230(6,115-39-83-203-67-23-99-219(175,176)177)116-40-84-204-68-24-100-220(178,179)180)144-56-140-236(12,135-51-127-231(7,117-41-85-205-69-25-101-221(181,182)183)118-42-86-206-70-26-102-222(184,185)186)136-52-128-232(8,119-43-87-207-71-27-103-223(187,188)189)120-44-88-208-72-28-104-224(190,191)192/h13-144H2,1-12H3,(H,145,146,147)(H,148,149,150)(H,151,152,153)(H,154,155,156)(H,157,158,159)(H,160,161,162)(H,163,164,165)(H,166,167,168)(H,169,170,171)(H,172,173,174)(H,175,176,177)(H,178,179,180)(H,181,182,183)(H,184,185,186)(H,187,188,189)(H,190,191,192)
- InChIKey
- VXWPIXPFUUGPIE-UHFFFAOYSA-N
- Compound name
- 3-[3-[methyl-[3-[methyl-[3-[methyl-bis[3-(3-sulfopropylsulfanyl)propyl]silyl]propyl]-[3-[tris[3-[methyl-bis[3-[methyl-bis[3-(3-sulfopropylsulfanyl)propyl]silyl]propyl]silyl]propyl]silyl]propyl]silyl]propyl]-[3-(3-sulfopropylsulfanyl)propyl]silyl]propylsulfanyl]propane-1-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 4202.0423 | 311.3 |
[M+Na]+ | 4224.0242 | 311.4 |
[M-H]- | 4200.0277 | 311.4 |
[M+NH4]+ | 4219.0688 | 311.4 |
[M+K]+ | 4239.9982 | 311.4 |
[M+H-H2O]+ | 4184.0323 | 311.4 |
[M+HCOO]- | 4246.0332 | 311.4 |
[M+CH3COO]- | 4260.0489 | 311.4 |
[M+Na-2H]- | 4222.0097 | 311.4 |
[M]+ | 4201.0345 | 311.4 |
[M]- | 4201.0355 | 311.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.