3-[(3S)-3-Amino-3-Carboxypropyl]Uridine

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Properties Simple | Detailed

Formula C13H19N3O8
IUPAC Name (2s)-2-amino-4-[3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,6-dioxo-pyrimidin-1-yl]butanoic acid
Molecular Mass 345.305 g·mol−1
Heat of Formation -1436.1 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 378.61 Å 3
Surface Area 324.24 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-[3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2,6-dioxo-1-pyrimidinyl]butanoic acid
  • (2s)-2-amino-4-[3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxo-pyrimidin-1-yl]butanoic acid
  • (2s)-2-amino-4-[3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]butanoic acid
  • (2s)-2-amino-4-[3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,6-dioxo-pyrimidin-1-yl]butanoic acid
  • (2s)-2-amino-4-[3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2,6-diketo-pyrimidin-1-yl]butyric acid
InChIKey YXNIEZJFCGTDKV-CNYIRLTGSA-N
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