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.beta.-D-Allofuranuronic acid, 5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-

View entire compound with spectra: 1 MS (GC)

.beta.-D-Allofuranuronic acid, 5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-
SpectraBase Compound ID 3SZQo3FWFQl
InChI InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)/t5-,6-,7-,8+,9-,10+,11+,14+/m0/s1
InChIKey YFZNSPMAOIVQRP-YVKGXWRCSA-N
Mol Weight 507.41 g/mol
Molecular Formula C17H25N5O13
Exact Mass 507.144886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15Fu57O19mv
Name .beta.-D-Allofuranuronic acid, 5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-
CAS Registry Number 19396-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N5O13
InChI InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)/t5-,6-,7-,8+,9-,10+,11+,14+/m0/s1
InChIKey YFZNSPMAOIVQRP-YVKGXWRCSA-N
Molecular Weight 507.409 g/mol
SMILES N(C([C@]([C@@]([C@](COC(=O)N)(O)[H])(O)[H])(N)[H])=O)[C@@]([C@]1(O[C@]([C@@]([C@@]1(O)[H])(O)[H])(N1C(NC(C(=C1)CO)=O)=O)[H])[H])(C(=O)O)[H]
SPLASH splash10-0296-9100000000-805a847c475fa617871c
Source of Spectrum W5-36794-28742-28742
Synonyms (2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxy-1-oxopentyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-1-pyrimidinyl]-2-oxolanyl]acetic acid (2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxy-pentanoyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]acetic acid (2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxy-pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-diketo-5-methylol-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid (2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]acetic acid (2S)-2-[[(2S,3S,4S)-5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid Polyoxin AL Polyoxin B EINECS 243-024-9
Wiley ID 1399995