ChemSpider 2D Image | (2R,3S,4S)-3,4-Dihydroxy-2-{(1S)-2-hydroxy-1-[(2S,3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxo-1(2H)-pyrimidinyl)-3-methoxytetrahydro-2-furanyl]-2-iminoethoxy}-N-[(6S)-7-hydroxy-3,4,5,6-tetrahydro-2H-azepin -6-yl]-3,4-dihydro-2H-pyran-6-carboximidic acid (non-preferred name) | C23H31N5O12

(2R,3S,4S)-3,4-Dihydroxy-2-{(1S)-2-hydroxy-1-[(2S,3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxo-1(2H)-pyrimidinyl)-3-methoxytetrahydro-2-furanyl]-2-iminoethoxy}-N-[(6S)-7-hydroxy-3,4,5,6-tetrahydro-2H-azepin -6-yl]-3,4-dihydro-2H-pyran-6-carboximidic acid (non-preferred name)

  • Molecular FormulaC23H31N5O12
  • Average mass569.518 Da
  • Monoisotopic mass569.196899 Da
  • ChemSpider ID57261156

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3S,4S)-3,4-Dihydroxy-2-{(1S)-2-hydroxy-1-[(2S,3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxo-1(2H)-pyrimidinyl)-3-methoxytetrahydro-2-furanyl]-2-iminoethoxy}-N-[(6S)-7-hydroxy-3,4,5,6-tetrahydro-2H-azepin -6-yl]-3,4-dihydro-2H-pyran-6-carboximidic acid (non-preferred name) [ACD/IUPAC Name]
(2R,3S,4S)-3,4-Dihydroxy-2-{(1S)-2-hydroxy-1-[(2S,3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxo-1(2H)-pyrimidinyl)-3-methoxytetrahydro-2-furanyl]-2-iminoethoxy}-N-[(6S)-7-hydroxy-3,4,5,6-tetrahydro-2H-azepin -6-yl]-3,4-dihydro-2H-pyran-6-carboximidsäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2R,3S,4S)-3,4-dihydroxy-2-{(1S)-2-hydroxy-1-[(2S,3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxo-1(2H)-pyrimidinyl)-3-méthoxytétrahydro-2-furanyl]-2-iminoéthoxy}-N-[(6S)-7-hydroxy-3,4,5,6-tétrahydro-2H- azépin-6-yl]-3,4-dihydro-2H-pyrane-6-carboximidique (non-preferred name) [French] [ACD/IUPAC Name]
102770-00-3 [RN]
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: 939.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.0±6.0 kJ/mol
Flash Point: 521.8±37.1 °C
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: -1.45
ACD/LogD (pH 5.5): -4.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 260 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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