ChemSpider 2D Image | (3R,4R,6R,18S)-3-Methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1~2,6~.0~7,28~.0~8,13~.0~15,19~.0~20,27~.0~21,26~]nonacosa-8,10,12,14,16,19,21,23,25,27-decaene-16,18-diol | C28H26N4O4

(3R,4R,6R,18S)-3-Methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,16,19,21,23,25,27-decaene-16,18-diol

  • Molecular FormulaC28H26N4O4
  • Average mass482.530 Da
  • Monoisotopic mass482.195404 Da
  • ChemSpider ID58816539

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3R,4R,6R,18S)-3-Methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,16,19,21,23,25,27-decaen-16,18-diol [German] [ACD/IUPAC Name]
(3R,4R,6R,18S)-3-Methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,16,19,21,23,25,27-decaene-16,18-diol [ACD/IUPAC Name]
(3R,4R,6R,18S)-3-Méthoxy-2-méthyl-4-(méthylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,16,19,21,23,25,27-décaène-16,18-diol [French] [ACD/IUPAC Name]
6,10-Epoxy-6H,16H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonine-16,18-diol, 7,8,9,10-tetrahydro-9-methoxy-10-methyl-8-(methylamino)-, (6R,8R,9R,16S)- [ACD/Index Name]
121569-61-7 [RN]
UCN-02

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

Density: 1.6±0.1 g/cm3
Boiling Point: 669.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.6±34.3 °C
Index of Refraction: 1.828
Molar Refractivity: 129.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.69
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 5.27
ACD/KOC (pH 7.4): 41.18
Polar Surface Area: 93 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 295.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement