ChemSpider 2D Image | 3,20,23,27-Tetrahydroxy-6-methoxy-4-methyl-18,25-dioxo-15-azaheptacyclo[14.12.0.0~2,7~.0~3,14~.0~8,13~.0~17,26~.0~19,24~]octacosa-1(28),5,8,10,12,16,19,21,23,26-decaene-5-carboxylic acid | C30H23NO9

3,20,23,27-Tetrahydroxy-6-methoxy-4-methyl-18,25-dioxo-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),5,8,10,12,16,19,21,23,26-decaene-5-carboxylic acid

  • Molecular FormulaC30H23NO9
  • Average mass541.505 Da
  • Monoisotopic mass541.137268 Da
  • ChemSpider ID130618

More details:

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

3,20,23,27-Tetrahydroxy-6-methoxy-4-methyl-18,25-dioxo-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),5,8,10,12,16,19,21,23,26-decaen-5-carbonsäure [German] [ACD/IUPAC Name]
3,20,23,27-Tetrahydroxy-6-methoxy-4-methyl-18,25-dioxo-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),5,8,10,12,16,19,21,23,26-decaene-5-carboxylic acid [ACD/IUPAC Name]
9,8,14-[1]Butene[1,4,4]triylanthra[1,2-b]benz[f]azocine-19-carboxylic acid, 5,8,9,14,15,16-hexahydro-1,4,6,17-tetrahydroxy-20-methoxy-18-methyl-5,16-dioxo- [ACD/Index Name]
Acide 3,20,23,27-tétrahydroxy-6-méthoxy-4-méthyl-18,25-dioxo-15-azaheptacyclo[14.12.0.02,7.03,14.08,13.017,26.019,24]octacosa-1(28),5,8,10,12,16,19,21,23,26-décaène-5-carboxylique [French] [ACD/IUPAC Name]
129985-03-1 [RN]
9,8,14-(1)Buten(1)yl(4)ylideneanthra(1,2-b)benz(f)azocine-19-carboxylic acid, 5,8,9,14,15,16-hexahydro-1,4,6,17-tetrahydroxy-20-methoxy-18-methyl-5,16-dioxo-, (8S-(8α,9α,14α,17S*,18R*))-
Dynemicin H

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

Density: 1.7±0.1 g/cm3
Boiling Point: 835.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 458.9±34.3 °C
Index of Refraction: 1.824
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 4
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 676.16
ACD/KOC (pH 5.5): 1637.29
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.89
Polar Surface Area: 174 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 113.1±5.0 dyne/cm
Molar Volume: 311.9±5.0 cm3

Click to predict properties on the Chemicalize site


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