ChemSpider 2D Image | (7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z,28E)-31-Chloro-4,10,14,20,28-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.0~5,33~]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30-und ecaene-6,18,32,34-tetrone | C40H46ClNO9

(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z,28E)-31-Chloro-4,10,14,20,28-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30-und ecaene-6,18,32,34-tetrone

  • Molecular FormulaC40H46ClNO9
  • Average mass720.247 Da
  • Monoisotopic mass719.286133 Da
  • ChemSpider ID57261028

  • 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

(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z,28E)-31-Chlor-4,10,14,20,28-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30-unde caen-6,18,32,34-tetron [German] [ACD/IUPAC Name]
(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z,28E)-31-Chloro-4,10,14,20,28-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30-und ecaene-6,18,32,34-tetrone [ACD/IUPAC Name]
(7Z,9S,10S,11S,12Z,14S,16Z,20S,21S,22Z,24Z,26Z,28E)-31-Chloro-4,10,14,20,28-pentahydroxy-3,7,9,11,17,21,27-heptaméthyl-29-azatricyclo[28.3.1.05,33]tétratriaconta-1(33),2,4,7,12,16,22,24,26,28,30-und écaène-6,18,32,34-tétrone [French] [ACD/IUPAC Name]
3,31-Methano-1H-4-benzazacyclononacosine-1,15,27,32(12H,18H)-tetrone, 2-chloro-13,14,19,22,23,24-hexahydro-5,13,19,23,28-pentahydroxy-6,12,16,22,24,26,29-heptamethyl-, (4E,6Z,8Z,10Z,12S,13S,16Z,19S,20 Z,22S,23S,24S,25Z)- [ACD/Index Name]
55557-40-9 [RN]
Naphthomycin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 950.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.0±3.0 kJ/mol
Flash Point: 528.8±37.1 °C
Index of Refraction: 1.590
Molar Refractivity: 193.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 4
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 285.65
ACD/KOC (pH 5.5): 921.76
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 572.7±7.0 cm3

Click to predict properties on the Chemicalize site


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