ChemSpider 2D Image | Methoxymethyl (2R,4S,5S,8S,11Z,15S)-28-hydroxy-7-methoxy-21,24-bis(methoxymethoxy)-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-carboxylate | C36H31NO12

Methoxymethyl (2R,4S,5S,8S,11Z,15S)-28-hydroxy-7-methoxy-21,24-bis(methoxymethoxy)-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-carboxylate

  • Molecular FormulaC36H31NO12
  • Average mass669.631 Da
  • Monoisotopic mass669.184631 Da
  • ChemSpider ID9258056

  • 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,8S,11Z,15S)-28-Hydroxy-7-méthoxy-21,24-bis(méthoxyméthoxy)-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-octa ène-9,13-diyne-6-carboxylate de méthoxyméthyle [French] [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-hydroxy-3-methoxy-8,11-bis(methoxymethoxy)-1-methyl-7,12-dioxo-, methoxymethyl ester, (1 S,4S,4aR,14S,14aS,18Z)- [ACD/Index Name]
Methoxymethyl (2R,4S,5S,8S,11Z,15S)-28-hydroxy-7-methoxy-21,24-bis(methoxymethoxy)-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-carboxylate [ACD/IUPAC Name]
Methoxymethyl-(2R,4S,5S,8S,11Z,15S)-28-hydroxy-7-methoxy-21,24-bis(methoxymethoxy)-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-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 909.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.8±3.0 kJ/mol
Flash Point: 503.9±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 167.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9470.75
ACD/KOC (pH 5.5): 23955.51
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 1530.83
ACD/KOC (pH 7.4): 3872.11
Polar Surface Area: 161 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 440.2±5.0 cm3

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