3'-Amino-3'-Deoxy-5'-O-β-D-Glucopyranuronosylthymidine

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Properties Simple | Detailed

Formula C16H23N3O10++
IUPAC Name (2s,3s,4s,5r,6r)-6-[[(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 417.368 g·mol−1
Heat of Formation -1781.7 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 452.84 Å 3
Surface Area 369.67 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-[[(2s,3s,5r)-3-amino-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methoxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-6-[[(2s,3s,5r)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 3'-amino-3'-deoxy-5'-beta-d-glucopyranuronosylthymidine
  • 3'-amino-3'-deoxy-5'-glucopyranuronosylthymidine
  • 3'-amino-3'-deoxythymidine glucuronide
  • 3-gamt
  • thymidine, 3'-amino-3'-deoxy-5'-o-beta-d-glucopyranuronosyl-
CAS Number(s)
  • 133632-85-6
InChIKey XOYCLJDJUKHHHS-LHBOOPKSSA-N
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