ChemSpider 2D Image | Methyl 2,16-diacetoxy-12,14,18,19,28-pentahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,31-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.1~4,29~.0~26,30~]hentriaconta-1,3,7,9,20,22(30),26,28-octaene-15-carbox ylate | C42H53NO15

Methyl 2,16-diacetoxy-12,14,18,19,28-pentahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,31-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,28-octaene-15-carbox ylate

  • Molecular FormulaC42H53NO15
  • Average mass811.868 Da
  • Monoisotopic mass811.341492 Da
  • ChemSpider ID2745841

More details:

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

2,16-Diacétoxy-12,14,18,19,28-pentahydroxy-3,7,11,13,17,19,21,27-octaméthyl-6,31-dioxo-23,25-dioxa-5-azatétracyclo[20.7.1.14,29.026,30]héntriaconta-1,3,7,9,20,22(30),26,28-octaène-15-carboxylate d e méthyle [French] [ACD/IUPAC Name]
6,9-Methano-10H-1,3-dioxino[4,5,6-uv][4]benzazacyclotricosine-20-carboxylic acid, 7,21-bis(acetyloxy)-11,16,17,18,19,20,21,22,23,24-decahydro-5,17,19,23,24-pentahydroxy-4,8,12,16,18,22,24,26-octamethy l-11,27-dioxo-, methyl ester [ACD/Index Name]
Methyl 2,16-diacetoxy-12,14,18,19,28-pentahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,31-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,28-octaene-15-carbox
 ylate [ACD/IUPAC Name]
Methyl-2,16-diacetoxy-12,14,18,19,28-pentahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,31-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,28-octaen-15-carboxy
 lat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 838.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.6±6.0 kJ/mol
Flash Point: 461.0±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 205.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.96
ACD/LogD (pH 7.4): -1.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 81.4±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 593.4±5.0 cm3

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