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N3-Benzoyl-5'-O-[diethyl(ethoxycarbonyl)phosphonomethyl]-2',3'-O-isopropylidene uridine
SpectraBase Compound ID LWZobOKJ1Bx
InChI InChI=1S/C27H35N2O12P/c1-6-35-24(32)25(42(34,37-7-2)38-8-3)36-16-18-20-21(41-27(4,5)40-20)23(39-18)28-15-14-19(30)29(26(28)33)22(31)17-12-10-9-11-13-17/h9-15,18,20-21,23,25H,6-8,16H2,1-5H3/t18-,20-,21-,23-,25?/m1/s1
InChIKey MKKDOPNRSSSJTK-NXOVXLMRSA-N
Mol Weight 610.6 g/mol
Molecular Formula C27H35N2O12P
Exact Mass 610.192762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnkmaH5NhWg
Name N3-Benzoyl-5'-O-[diethyl(ethoxycarbonyl)phosphonomethyl]-2',3'-O-isopropylidene uridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35N2O12P
InChI InChI=1S/C27H35N2O12P/c1-6-35-24(32)25(42(34,37-7-2)38-8-3)36-16-18-20-21(41-27(4,5)40-20)23(39-18)28-15-14-19(30)29(26(28)33)22(31)17-12-10-9-11-13-17/h9-15,18,20-21,23,25H,6-8,16H2,1-5H3/t18-,20-,21-,23-,25?/m1/s1
InChIKey MKKDOPNRSSSJTK-NXOVXLMRSA-N
Molecular Weight 610.553 g/mol
SMILES C1(N(C=CC(N1C(=O)c1ccccc1)=O)[C@]1([C@]2([C@](OC(O2)(C)C)([C@](O1)(COC(P(=O)(OCC)OCC)C(=O)OCC)[H])[H])[H])[H])=O
SPLASH splash10-0a71-3913000000-074d4748b68091d133d3
Source of Spectrum F-68-1905-29
Synonyms [(3aR,4R,6R,6aR)-6-(3-Benzoyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethoxy]-(diethoxy-phosphoryl)-acetic acid ethyl ester
Wiley ID 1707962