ChemSpider 2D Image | Naphthomycin G | C45H54N2O12S

Naphthomycin G

  • Molecular FormulaC45H54N2O12S
  • Average mass846.982 Da
  • Monoisotopic mass846.339722 Da
  • ChemSpider ID10389025
  • 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]- [ACD/Index Name]
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-cystein [German] [ACD/IUPAC Name]
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-cysteine [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-cystéine [French] [ACD/IUPAC Name]
Naphthomycin G

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1135.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 175.4±3.0 kJ/mol
Flash Point: 640.7±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 225.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.32
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 270 Å2
Polarizability: 89.2±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 630.6±5.0 cm3

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