ChemSpider 2D Image | 7-{[Amino(iminio)methyl]amino}-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11-aza-22-azoniaheptacyclo[13.9.1.0~1,13~.0~2,21~.0~4,12~.0~5,10~.0~19,25~]pentacosa-4(12),5,7,9,15(25),16,18-heptaene | C27H31N5O3

7-{[Amino(iminio)methyl]amino}-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11-aza-22-azoniaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15(25),16,18-heptaene

  • Molecular FormulaC27H31N5O3
  • Average mass473.566 Da
  • Monoisotopic mass473.241608 Da
  • ChemSpider ID21219106

  • Charge - Charge

More details:

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

4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazolium, 11-[(aminoiminiomethyl)amino]-7-(cyclopropylmethyl)-5,6,7,8,8a,9,14,14b-octahydro-1,8a-dihydroxy- [ACD/Index Name]
7-{[Amino(iminio)methyl]amino}-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11-aza-22-azoniaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15(25),16,18-heptaen [German] [ACD/IUPAC Name]
7-{[Amino(iminio)methyl]amino}-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11-aza-22-azoniaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15(25),16,18-heptaene [ACD/IUPAC Name]
7-{[Amino(iminio)méthyl]amino}-22-(cyclopropylméthyl)-2,16-dihydroxy-14-oxa-11-aza-22-azoniaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15(25),16,18-heptaène [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 722.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.5±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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