ChemSpider 2D Image | (2R,3R,4R,5S)-5-[(1S)-2-Amino-1-({3,4-dihydroxy-6-[(7-methyl-2-oxo-3-azepanyl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl}oxy)-2-oxoethyl]-2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-methoxytetrahydro-3-fu ranyl carbamate | C25H34N6O13

(2R,3R,4R,5S)-5-[(1S)-2-Amino-1-({3,4-dihydroxy-6-[(7-methyl-2-oxo-3-azepanyl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl}oxy)-2-oxoethyl]-2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-methoxytetrahydro-3-fu ranyl carbamate

  • Molecular FormulaC25H34N6O13
  • Average mass626.570 Da
  • Monoisotopic mass626.218384 Da
  • ChemSpider ID9642583

  • defined stereocentres - 4 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3R,4R,5S)-5-[(1S)-2-Amino-1-({3,4-dihydroxy-6-[(7-methyl-2-oxo-3-azepanyl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl}oxy)-2-oxoethyl]-2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-methoxytetrahydro-3-fu ranyl carbamate [ACD/IUPAC Name]
(2R,3R,4R,5S)-5-[(1S)-2-Amino-1-({3,4-dihydroxy-6-[(7-methyl-2-oxo-3-azepanyl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl}oxy)-2-oxoethyl]-2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-methoxytetrahydro-3-fu ranylcarbamat [German] [ACD/IUPAC Name]
Carbamate de (2R,3R,4R,5S)-5-[(1S)-2-amino-1-({3,4-dihydroxy-6-[(7-méthyl-2-oxo-3-azépanyl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl}oxy)-2-oxoéthyl]-2-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-méthoxyté trahydro-3-furanyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 143.6±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.00
ACD/LogD (pH 5.5): -3.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 280 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 84.3±5.0 dyne/cm
Molar Volume: 396.7±5.0 cm3

Click to predict properties on the Chemicalize site


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