For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3'-O-(N-Allylcarbamoyl)-3'-O-(p-toluenesulfonyl)-2'-deoxynucleoside
SpectraBase Compound ID 7IdGZEWmTSM
InChI InChI=1S/C21H25N3O8S/c1-4-9-22-21(27)30-12-17-16(32-33(28,29)15-7-5-13(2)6-8-15)10-18(31-17)24-11-14(3)19(25)23-20(24)26/h4-8,11,16-18H,1,9-10,12H2,2-3H3,(H,22,27)(H,23,25,26)/t16-,17+,18+/m0/s1
InChIKey DPZQRZVMLFFYGC-RCCFBDPRSA-N
Mol Weight 479.5 g/mol
Molecular Formula C21H25N3O8S
Exact Mass 479.136236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3zZt3LNdey
Name 3'-O-(N-Allylcarbamoyl)-3'-O-(p-toluenesulfonyl)-2'-deoxynucleoside
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O8S
InChI InChI=1S/C21H25N3O8S/c1-4-9-22-21(27)30-12-17-16(32-33(28,29)15-7-5-13(2)6-8-15)10-18(31-17)24-11-14(3)19(25)23-20(24)26/h4-8,11,16-18H,1,9-10,12H2,2-3H3,(H,22,27)(H,23,25,26)/t16-,17+,18+/m0/s1
InChIKey DPZQRZVMLFFYGC-RCCFBDPRSA-N
Molecular Weight 479.504 g/mol
SMILES N1C(C(=CN([C@@]2(O[C@](COC(=O)NCC=C)([C@](C2)(OS(c2ccc(cc2)C)(=O)=O)[H])[H])[H])C1=O)C)=O
SPLASH splash10-0a90-0009900000-55bf4db8f6898c360d32
Source of Spectrum J-61-6984-5
Synonyms [(2R,3S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-{[(4-methylbenzene)sulfonyl]oxy}oxolan-2-yl]methyl N-(prop-2-en-1-yl)carbamate 4-methylbenzenesulfonic acid [(2R,3S,5R)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-[[oxo-(prop-2-enylamino)methoxy]methyl]-3-oxolanyl] ester [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(prop-2-enylcarbamoyloxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate [(2R,3S,5R)-2-(allylcarbamoyloxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] 4-methylbenzenesulfonate [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(prop-2-enylcarbamoyloxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
Wiley ID 1394961