ChemSpider 2D Image | Chaxamycin B, rel- | C35H45NO9

Chaxamycin B, rel-

  • Molecular FormulaC35H45NO9
  • Average mass623.733 Da
  • Monoisotopic mass623.309448 Da
  • ChemSpider ID65322736

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18Z,20Z)-4,10,12,14,16,22-Hexahydroxy-3,7,9,11,13,15,17,25-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,22,24-octaen-6,26,28-trion [German] [ACD/IUPAC Name]
(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18Z,20Z)-4,10,12,14,16,22-Hexahydroxy-3,7,9,11,13,15,17,25-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,22,24-octaene-6,26,28-trione [ACD/IUPAC Name]
(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18Z,20Z)-4,10,12,14,16,22-Hexahydroxy-3,7,9,11,13,15,17,25-octaméthyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,22,24-octaène-6,26,28-trione [French] [ACD/IUPAC Name]
3,25-Methano-1H-4-benzazacyclotricosine-1,21,26(10H)-trione, 11,12,13,14,15,16,17,18-octahydro-5,11,13,15,17,22-hexahydroxy-2,10,12,14,16,18,20,23-octamethyl-, (6Z,8Z,10S,11S,12R,13R,14R,15R,16R,17S,1 8S,19E)- [ACD/Index Name]
Chaxamycin B, rel-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 878.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.7±3.0 kJ/mol
Flash Point: 484.9±37.1 °C
Index of Refraction: 1.602
Molar Refractivity: 165.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 155.10
ACD/KOC (pH 5.5): 934.23
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.44
Polar Surface Area: 185 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 482.6±7.0 cm3

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