1-(5-Amino-5-Deoxy-β-D-Allofuranuronosyl)-5-(Hydroxymethyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H15N3O8
IUPAC Name (2s)-2-amino-2-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]acetic acid
Molecular Mass 317.252 g·mol−1
Heat of Formation -1417.1 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 329.16 Å 3
Surface Area 283.16 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2,2'-bianthracene)-8,8',9,10,10'(5h)-pentaone, 8'a-alpha,10'a-alpha-epoxy-5',6,6',7,7',8'a,9',10'a-octahydro-1,1',6-beta,6'-beta,9'-alpha-pentahydroxy-5-beta,5'-beta-bis(1-hydroxyethyl)-6,6'-dimethyl-, 5,5'-diacetate
  • (2s)-2-amino-2-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-1-pyrimidinyl]-2-tetrahydrofuranyl]acetic acid
  • (2s)-2-amino-2-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]oxolan-2-yl]ethanoic acid
  • (2s)-2-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-amino-2-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]acetic acid
  • (2s)-2-amino-2-[(2r,3s,4r,5r)-5-(2,4-diketo-5-methylol-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
  • julichrome q(sub 1.3)
  • julimycin c
  • polyoxin c
CAS Number(s)
  • 21027-33-8
InChIKey TZQKKPBFBDTCRN-AJDRIWCOSA-N
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