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Acetamide, N-[1,4-dihydro-4-oxo-6-[1,2,3-tris(acetyloxy)propyl]-2-pteridinyl]-, [R-(R*,S*)]-
SpectraBase Compound ID E6kn6litOUp
InChI InChI=1S/C17H19N5O8/c1-7(23)19-17-21-15-14(16(30)22-17)20-10(6-18-15)9(5-13(28)29)8(4-12(26)27)2-3-11(24)25/h6,8-9H,2-5H2,1H3,(H,24,25)(H,26,27)(H,28,29)(H2,18,19,21,22,23,30)
InChIKey KXBZRSVSIIZDGQ-UHFFFAOYSA-N
Mol Weight 421.37 g/mol
Molecular Formula C17H19N5O8
Exact Mass 421.123363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Gi6liWISs7
Name Acetamide, N-[1,4-dihydro-4-oxo-6-[1,2,3-tris(acetyloxy)propyl]-2-pteridinyl]-, [R-(R*,S*)]-
CAS Registry Number 73076-31-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N5O8
InChI InChI=1S/C17H19N5O8/c1-7(23)19-17-21-15-14(16(30)22-17)20-10(6-18-15)9(5-13(28)29)8(4-12(26)27)2-3-11(24)25/h6,8-9H,2-5H2,1H3,(H,24,25)(H,26,27)(H,28,29)(H2,18,19,21,22,23,30)
InChIKey KXBZRSVSIIZDGQ-UHFFFAOYSA-N
Molecular Weight 421.366 g/mol
SMILES N1C(c2nc(C(CC(=O)O)C(CC(=O)O)CCC(=O)O)cnc2N=C1NC(=O)C)=O
SPLASH splash10-0006-9052000000-c71e6d06dc6fb3f21e81
Source of Spectrum H-70-770-3
Synonyms 1-(2-Acetamido-3,4-dihydro-4-oxopteridin-6-yl)propan-1,2,3-triyl triacetate 3-[2-(acetylamino)-4-oxo-3,4-dihydro-6-pteridinyl]-4-(carboxymethyl)heptanedioic acid
Wiley ID 1378252