ChemSpider 2D Image | Naphthomycin F | C46H56N2O12S

Naphthomycin F

  • Molecular FormulaC46H56N2O12S
  • Average mass861.008 Da
  • Monoisotopic mass860.355408 Da
  • ChemSpider ID10389024
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

L-Cysteine, N-acetyl-S-[(6Z,8Z,10E,12S,13S,16E,19S,20E,22S,23S,24S,25E)-4,5,12,13,14,15,18,19,22,23,24,27-dodecahydro-13,19,23,28-tetrahydroxy-6,12,16,22,24,26,29-heptamethyl-1,5,15,27,32-pentaoxo-3,3 1-methano-1H-4-benzazacyclononacosin-2-yl]-, methyl ester [ACD/Index Name]
Methyl N-acetyl-S-[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7 ,12,16,22,24,26,30-decaen-31-yl]-L-cysteinate [ACD/IUPAC Name]
Methyl-N-acetyl-S-[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7 ,12,16,22,24,26,30-decaen-31-yl]-L-cysteinat [German] [ACD/IUPAC Name]
N-Acétyl-S-[(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tétrahydroxy-3,7,9,11,17,21,27-heptaméthyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tétratriaconta-1(33),2,4,7,12,16, 22,24,26,30-décaén-31-yl]-L-cystéinate de méthyle [French] [ACD/IUPAC Name]
Naphthomycin F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1103.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.8±3.0 kJ/mol
Flash Point: 620.9±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 230.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 109.68
ACD/KOC (pH 5.5): 556.43
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 9.95
Polar Surface Area: 259 Å2
Polarizability: 91.2±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 655.3±5.0 cm3

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