ChemSpider 2D Image | Methyl 9'-methoxy-2',3',4,4a',5,6,7,7a,8,12c',13,13',14,14',17',17a'-hexadecahydro-4'H,5'H,16'H-spiro[furo[2',3':7,8]indolizino[8,1-cd]carbazole-2,6'-furo[2',3':7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]c
arbazole]-7-carboxylate | C43H52N4O5

Methyl 9'-methoxy-2',3',4,4a',5,6,7,7a,8,12c',13,13',14,14',17',17a'-hexadecahydro-4'H,5'H,16'H-spiro[furo[2',3':7,8]indolizino[8,1-cd]carbazole-2,6'-furo[2',3':7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]c arbazole]-7-carboxylate

  • Molecular FormulaC43H52N4O5
  • Average mass704.897 Da
  • Monoisotopic mass704.393799 Da
  • ChemSpider ID552089

More details:






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

Methyl 9'-methoxy-2',3',4,4a',5,6,7,7a,8,12c',13,13',14,14',17',17a'-hexadecahydro-4'H,5'H,16'H-spiro[furo[2',3':7,8]indolizino[8,1-cd]carbazole-2,6'-furo[2',3':7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]c arbazole]-7-carboxylate [ACD/IUPAC Name]
Spiro[1H,15aH-furo[2',3':7,8]indolizino[8,1-cd]carbazole-2(2aH),6'(7'H)-[4H,5H,15aH,16H]furo[2',3':7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylic acid, 2',3',4,4'a,5,6,7,7a,8,12'c,13,13 ',14,14',17',17'a-hexadecahydro-9'-methoxy-, methyl ester [ACD/Index Name]
Vobtusine, 2'-deoxy-2,3-dihydro-, (2'ε,3'ε)-

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.713
Molar Refractivity: 194.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 4.92
ACD/KOC (pH 5.5): 7.52
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 544.56
ACD/KOC (pH 7.4): 831.84
Polar Surface Area: 76 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 497.1±5.0 cm3

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