ChemSpider 2D Image | (2R,3R,4R,5S)-5-[(1R)-2-Amino-1-{[(2S,3S,4S)-3,4-dihydroxy-6-{[(3S)-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-methoxytetrahyd ro-3-furanyl carbamate | C24H32N6O13

(2R,3R,4R,5S)-5-[(1R)-2-Amino-1-{[(2S,3S,4S)-3,4-dihydroxy-6-{[(3S)-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-methoxytetrahyd ro-3-furanyl carbamate

  • Molecular FormulaC24H32N6O13
  • Average mass612.543 Da
  • Monoisotopic mass612.202759 Da
  • ChemSpider ID24603656

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3R,4R,5S)-5-[(1R)-2-Amino-1-{[(2S,3S,4S)-3,4-dihydroxy-6-{[(3S)-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-methoxytetrahyd ro-3-furanyl carbamate [ACD/IUPAC Name]
(2R,3R,4R,5S)-5-[(1R)-2-Amino-1-{[(2S,3S,4S)-3,4-dihydroxy-6-{[(3S)-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-methoxytetrahyd ro-3-furanylcarbamat [German] [ACD/IUPAC Name]
Carbamate de (2R,3R,4R,5S)-5-[(1R)-2-amino-1-{[(2S,3S,4S)-3,4-dihydroxy-6-{[(3S)-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-mé thoxytétrahydro-3-furanyle [French] [ACD/IUPAC Name]
A-503083 B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.49
ACD/LogD (pH 5.5): -3.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 280 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 88.0±5.0 dyne/cm
Molar Volume: 380.1±5.0 cm3

Click to predict properties on the Chemicalize site


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