ChemSpider 2D Image | (7E,9S,10S,11S,14S,20S,21S,22E,24E,26Z)-4,10,14,20-Tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.0~5,33~]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone | C40H47NO9

(7E,9S,10S,11S,14S,20S,21S,22E,24E,26Z)-4,10,14,20-Tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone

  • Molecular FormulaC40H47NO9
  • Average mass685.802 Da
  • Monoisotopic mass685.325073 Da
  • ChemSpider ID59702551

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(7E,9S,10S,11S,14S,20S,21S,22E,24E,26Z)-4,10,14,20-Tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-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,14S,20S,21S,22E,24E,26Z)-4,10,14,20-Tetrahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone [ACD/IUPAC Name]
(7E,9S,10S,11S,14S,20S,21S,22E,24E,26Z)-4,10,14,20-Tétrahydroxy-3,7,9,11,17,21,27-heptaméthyl-29-azatricyclo[28.3.1.05,33]tétratriaconta-1(33),2,4,7,12,16,22,24,26,30-décaène-6,18,28,32,34-pentone [French] [ACD/IUPAC Name]
3,31-Methano-1H-4-benzazacyclononacosine-1,5,15,27,32(4H,12H,18H)-pentone, 13,14,19,22,23,24-hexahydro-13,19,23,28-tetrahydroxy-6,12,16,22,24,26,29-heptamethyl-, (6Z,8E,10E,12S,13S,19S,22S,23S,24S,25E )- [ACD/Index Name]
E'Naphthomycin E'

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

Density: 1.3±0.1 g/cm3
Boiling Point: 965.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.3±3.0 kJ/mol
Flash Point: 537.7±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 188.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 4
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 245.55
ACD/KOC (pH 5.5): 1204.79
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 4.66
ACD/KOC (pH 7.4): 22.88
Polar Surface Area: 178 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 538.8±5.0 cm3

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