Found 1 result

Search term: 8638685 (Found by CSID)
ChemSpider 2D Image | (2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-22-isopropyl-7-(methoxymethyl)-19-methyl-5,8,11,17,20,24-hexaoxo-3,4,4a,5,6,7,8,9,10,11,16,16a,17,18,19,20,23,24-octadecahydro-15H,22H-dipyridazino[6,1 -f:6',1'-o][1,4,7,10,13,16]oxapentaazacyclononadecin-23-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-5-isobutyl-6-methyltetrahydro-2H-pyran-2-yl]propanamide | C38H60N8O14

(2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-22-isopropyl-7-(methoxymethyl)-19-methyl-5,8,11,17,20,24-hexaoxo-3,4,4a,5,6,7,8,9,10,11,16,16a,17,18,19,20,23,24-octadecahydro-15H,22H-dipyridazino[6,1 -f:6',1'-o][1,4,7,10,13,16]oxapentaazacyclononadecin-23-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-5-isobutyl-6-methyltetrahydro-2H-pyran-2-yl]propanamide

  • Molecular FormulaC38H60N8O14
  • Average mass852.928 Da
  • Monoisotopic mass852.422913 Da
  • ChemSpider ID8638685

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-22-isopropyl-7-(methoxymethyl)-19-methyl-5,8,11,17,20,24-hexaoxo-3,4,4a,5,6,7,8,9,10,11,16,16a,17,18,19,20,23,24-octadecahydro-15H,22H-dipyridazino[6,1 -f:6',1'-o][1,4,7,10,13,16]oxapentaazacyclononadecin-23-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-5-isobutyl-6-methyltetrahydro-2H-pyran-2-yl]propanamid [German] [ACD/IUPAC Name]
(2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-22-isopropyl-7-(methoxymethyl)-19-methyl-5,8,11,17,20,24-hexaoxo-3,4,4a,5,6,7,8,9,10,11,16,16a,17,18,19,20,23,24-octadecahydro-15H,22H-dipyridazino[6,1 -f:6',1'-o][1,4,7,10,13,16]oxapentaazacyclononadecin-23-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-5-isobutyl-6-methyltetrahydro-2H-pyran-2-yl]propanamide [ACD/IUPAC Name]
(2R)-N-[(4aR,7S,16aS,19R,22S,23S)-6,18-Dihydroxy-22-isopropyl-7-(méthoxyméthyl)-19-méthyl-5,8,11,17,20,24-hexaoxo-3,4,4a,5,6,7,8,9,10,11,16,16a,17,18,19,20,23,24-octadécahydro-15H,22H-dipyridazino[6,1 -f:6',1'-o][1,4,7,10,13,16]oxapentaazacyclononadécin-23-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-5-isobutyl-6-méthyltétrahydro-2H-pyran-2-yl]propanamide [French] [ACD/IUPAC Name]
aurantimycin c

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: 1.634
Molar Refractivity: 208.7±0.5 cm3
#H bond acceptors: 22
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.80
ACD/LogD (pH 5.5): -3.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 290 Å2
Polarizability: 82.7±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 583.2±7.0 cm3

Click to predict properties on the Chemicalize site


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