ChemSpider 2D Image | (1R,3S,5R,7S,8E,12R,20E,22S,24S,25R,26S)-22-[(3-Amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.0~5,7~]octacosa-8,14,16,18,20-pentaene-25- carboxylic acid | C33H47NO13

(1R,3S,5R,7S,8E,12R,20E,22S,24S,25R,26S)-22-[(3-Amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25- carboxylic acid

  • Molecular FormulaC33H47NO13
  • Average mass665.725 Da
  • Monoisotopic mass665.304749 Da
  • ChemSpider ID27475164

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 14 defined stereocentres

More details:

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

(1R,3S,5R,7S,8E,12R,20E,22S,24S,25R,26S)-22-[(3-Amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-
 carboxylic acid [ACD/IUPAC Name]
(1R,3S,5R,7S,8E,12R,20E,22S,24S,25R,26S)-22-[(3-Amino-3,6-didesoxy-β-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaen-25-
 carbonsäure [German] [ACD/IUPAC Name]
6,11,28-Trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid, 22-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-, (1R,3S,5R,7S,8E,12R,20 E,22S,24S,25R,26S)- [ACD/Index Name]
Acide (1R,3S,5R,7S,8E,12R,20E,22S,24S,25R,26S)-22-[(3-amino-3,6-didésoxy-β-D-mannopyranosyl)oxy]-1,3,26-trihydroxy-12-méthyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-penta ;ène-25-carboxylique [French] [ACD/IUPAC Name]
Natamycin(Pimaricin)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 952.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.2±6.0 kJ/mol
Flash Point: 529.7±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 167.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -2.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 231 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 477.4±5.0 cm3

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