ChemSpider 2D Image | (11Z)-21,28-Dihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.0~2,4~.0~2,8~.0~4,15~.0~18,27~.0~20,25~]nonacosa-1(29),6,11,17,20,22,24,27-octaene-9,13-diyne-6-carboxylic acid | C30H19NO8

(11Z)-21,28-Dihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20,22,24,27-octaene-9,13-diyne-6-carboxylic acid

  • Molecular FormulaC30H19NO8
  • Average mass521.474 Da
  • Monoisotopic mass521.111084 Da
  • ChemSpider ID4947955

  • Double-bond stereo - Double-bond stereo

More details:

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

(11Z)-21,28-Dihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20,22,24,27-octaen-9,13-diin-6-carbonsäure [German] [ACD/IUPAC Name]
(11Z)-21,28-Dihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20,22,24,27-octaene-9,13-diyne-6-carboxylic acid [ACD/IUPAC Name]
4a,14a-Epoxy-4,14-[3]hexene[1,5]diynonaphtho[2,3-c]phenanthridine-2-carboxylic acid, 1,4,7,12,13,14-hexahydro-6,11-dihydroxy-3-methoxy-1-methyl-7,12-dioxo-, (18Z)- [ACD/Index Name]
Acide (11Z)-21,28-dihydroxy-7-méthoxy-5-méthyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20,22,24,27-octaène-9,13-diyne-6-carboxylique [French] [ACD/IUPAC Name]
130640-33-4 [RN]
Deoxydynemicin A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 861.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 474.9±34.3 °C
Index of Refraction: 1.819
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 9.20
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 8557.22
ACD/KOC (pH 5.5): 9402.51
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 6.57
ACD/KOC (pH 7.4): 7.22
Polar Surface Area: 146 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 111.0±5.0 dyne/cm
Molar Volume: 303.4±5.0 cm3

Click to predict properties on the Chemicalize site


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