ChemSpider 2D Image | (8Z,14Z,16Z,18Z,20Z)-22-[(3-amino-3,6-dideoxyhexopyranosyl)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

(8Z,14Z,16Z,18Z,20Z)-22-[(3-amino-3,6-dideoxyhexopyranosyl)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 ID10618535

  • Double-bond stereo - Double-bond stereo

More details:

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

(8Z,14Z,16Z,18Z,20Z)-22-[(3-amino-3,6-dideoxyhexopyranosyl)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]
(8Z,14Z,16Z,18Z,20Z)-22-[(3-Amino-3,6-didesoxyhexopyranosyl)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-dideoxyhexopyranosyl)oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-, (8Z,14Z,16Z,18Z,20Z)- [ACD/Index Name]
Acide (8Z,14Z,16Z,18Z,20Z)-22-[(3-amino-3,6-didésoxyhexopyranosyl)oxy]-1,3,26-trihydroxy-12-méthyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaène-25-carboxylique [French] [ACD/IUPAC Name]
(5R,?7R,?24S)-?22R-?[(3S-?AMINO-?3,?6-?DIDEOXY-?β-?D-?MANNOPYRANOSYL)OXY]-?1R,?3S,?26S-?TRIHYDROXY-?12R-?METHYL-?10-?OXO-?6,?11,?28-?TRIOXATRICYCLO[22.3.1.05,?7]OCTACOSA-?8E,?14E,?16E,?18E,?20E-?PENTAENE-?25R-?CARBOXYLIC ACID
(8E,14E,16E,18E,20E)-22-[(3-Amino-3,6-dideoxyhexopyranosyl)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]
Natamycin [INN] [USP] [Wiki]
Pimaricin [JP15]
PIMARICIN (Natamycin)

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

Density: 1.4±0.0 g/cm3
Boiling Point: 952.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 157.2±0.0 kJ/mol
Flash Point: 529.7±0.0 °C
Index of Refraction: 1.620
Molar Refractivity: 167.7±0.0 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -1.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 231 Å2
Polarizability: 66.5±0.0 10-24cm3
Surface Tension: 71.0±0.0 dyne/cm
Molar Volume: 477.4±0.0 cm3

Click to predict properties on the Chemicalize site


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