ChemSpider 2D Image | (2R,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxotetrahydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-N-cycloheptyl-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxami de (non-preferred name) | C24H36N4O11

(2R,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxotetrahydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-N-cycloheptyl-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxami de (non-preferred name)

  • Molecular FormulaC24H36N4O11
  • Average mass556.563 Da
  • Monoisotopic mass556.238037 Da
  • ChemSpider ID129165592

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxotetrahydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-N-cycloheptyl-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxami d (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxotetrahydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-N-cycloheptyl-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxami de (non-preferred name) [ACD/IUPAC Name]
(2R,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxotétrahydro-1(2H)-pyrimidinyl)-4-hydroxy-3-méthoxytétrahydro-2-furanyl]-2-oxoéthoxy}-N-cycloheptyl-3,4-dihydroxy-3,4-dihydro-2H-pyrane-6-carboxam ide (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.53
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.52
Polar Surface Area: 219 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 373.7±5.0 cm3

Click to predict properties on the Chemicalize site


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