ChemSpider 2D Image | (2S)-2-({(2S,3S,4S)-3,4-Dihydroxy-6-[(2-oxo-3-azepanyl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl}oxy)-2-[(2R,3R,4S,5S)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]et hanimidic acid (non-preferred name) | C23H31N5O12

(2S)-2-({(2S,3S,4S)-3,4-Dihydroxy-6-[(2-oxo-3-azepanyl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl}oxy)-2-[(2R,3R,4S,5S)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]et hanimidic acid (non-preferred name)

  • Molecular FormulaC23H31N5O12
  • Average mass569.518 Da
  • Monoisotopic mass569.196899 Da
  • ChemSpider ID68026439

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(2S)-2-({(2S,3S,4S)-3,4-Dihydroxy-6-[(2-oxo-3-azepanyl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl}oxy)-2-[(2R,3R,4S,5S)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]et hanimidic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-2-({(2S,3S,4S)-3,4-Dihydroxy-6-[(2-oxo-3-azepanyl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl}oxy)-2-[(2R,3R,4S,5S)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]et hanimidsäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-2-({(2S,3S,4S)-3,4-dihydroxy-6-[(2-oxo-3-azépanyl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl}oxy)-2-[(2R,3R,4S,5S)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-méthoxytétrahydro-2-fura nyl]éthanimidique (non-preferred name) [French] [ACD/IUPAC Name]
Capuramycin

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.735
Molar Refractivity: 125.6±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.87
ACD/LogD (pH 5.5): -5.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 249 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 80.7±7.0 dyne/cm
Molar Volume: 313.1±7.0 cm3

Click to predict properties on the Chemicalize site


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