ChemSpider 2D Image | Naphthomycin B | C39H44ClNO9

Naphthomycin B

  • Molecular FormulaC39H44ClNO9
  • Average mass706.221 Da
  • Monoisotopic mass705.270447 Da
  • ChemSpider ID29272097
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(7E,9S,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-31-Chlor-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-6,18,28,32, 34-penton [German] [ACD/IUPAC Name]
(7E,9S,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-31-Chloro-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,3 2,34-pentone [ACD/IUPAC Name]
(7E,9S,10S,11S,12E,14S,16E,20S,21S,22Z,24E,26Z)-31-Chloro-4,10,14,20-tétrahydroxy-3,7,9,11,17,21-hexaméthyl-29-azatricyclo[28.3.1.05,33]tétratriaconta-1(33),2,4,7,12,16,22,24,26,30-décaène-6,18,28,3 2,34-pentone [French] [ACD/IUPAC Name]
3,31-Methano-1H-4-benzazacyclononacosine-1,5,15,27,32(4H,12H,18H)-pentone, 2-chloro-13,14,19,22,23,24-hexahydro-13,19,23,28-tetrahydroxy-12,16,22,24,26,29-hexamethyl-, (6Z,8E,10Z,12S,13S,16E,19S,20E,2 2S,23S,24S,25E)- [ACD/Index Name]
86825-88-9 [RN]
Naphthomycin B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 974.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.7±3.0 kJ/mol
Flash Point: 543.0±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 189.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 81.22
ACD/KOC (pH 5.5): 398.43
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 6.68
Polar Surface Area: 178 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 533.9±5.0 cm3

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