ChemSpider 2D Image | dynemicin A | C30H19NO9

dynemicin A

  • Molecular FormulaC30H19NO9
  • Average mass537.473 Da
  • Monoisotopic mass537.105957 Da
  • ChemSpider ID8205706
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(2R,4S,5S,8R,11Z,15S)-21,24,28-Trihydroxy-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-ca rbonsäure [German] [ACD/IUPAC Name]
(2R,4S,5S,8R,11Z,15S)-21,24,28-Trihydroxy-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]
(2R,4S,5S,8R,11Z,15S)-21,24,28-Trihydroxy-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
4a,14a-Epoxy-4,14-[3]hexene[1,5]diynonaphtho[2,3-c]phenanthridine-2-carboxylic acid, 1,4,7,12,13,14-hexahydro-6,8,11-trihydroxy-3-methoxy-1-methyl-7,12-dioxo-, (1S,4R,4aR,14S,14aS,18Z)- [ACD/Index Name]
Acide (2R,4S,5S,8R,11Z,15S)-21,24,28-trihydroxy-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-di 
yne-6-carboxylique [French] [ACD/IUPAC Name]
dynemicin A
124412-57-3 [RN]
Dynemicin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 897.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 496.7±34.3 °C
Index of Refraction: 1.845
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 4
ACD/LogP: 9.69
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 9913.62
ACD/KOC (pH 5.5): 10526.59
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 8.42
ACD/KOC (pH 7.4): 8.94
Polar Surface Area: 166 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 123.2±5.0 dyne/cm
Molar Volume: 300.2±5.0 cm3

Click to predict properties on the Chemicalize site


Feedback Form