ChemSpider 2D Image | Methyl 2-acetoxy-12,14,16,18,19,28-hexahydroxy-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-1,3,7,20,22(30),26,28-heptaene-15-carboxylat e | C40H53NO14

Methyl 2-acetoxy-12,14,16,18,19,28-hexahydroxy-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-1,3,7,20,22(30),26,28-heptaene-15-carboxylat e

  • Molecular FormulaC40H53NO14
  • Average mass771.847 Da
  • Monoisotopic mass771.346619 Da
  • ChemSpider ID278676

More details:

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

2-Acétoxy-12,14,16,18,19,28-hexahydroxy-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-1,3,7,20,22(30),26,28-heptaène-15-carboxylate de mé thyle [French] [ACD/IUPAC Name]
6,9-Methano-10H-1,3-dioxino[4,5,6-uv][4]benzazacyclotricosine-20-carboxylic acid, 7-(acetyloxy)-11,14,15,16,17,18,19,20,21,22,23,24-dodecahydro-5,17,19,21,23,24-hexahydroxy-4,8,12,16,18,22,24,26-octam ethyl-11,27-dioxo-, methyl ester [ACD/Index Name]
Methyl 2-acetoxy-12,14,16,18,19,28-hexahydroxy-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-1,3,7,20,22(30),26,28-heptaene-15-carboxylat e [ACD/IUPAC Name]
Methyl-2-acetoxy-12,14,16,18,19,28-hexahydroxy-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-1,3,7,20,22(30),26,28-heptaen-15-carboxylat [German] [ACD/IUPAC Name]
58150-57-5 [RN]

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

NSC236655 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 837.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.4±6.0 kJ/mol
Flash Point: 460.3±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 195.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.84
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 239 Å2
Polarizability: 77.6±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 562.7±5.0 cm3

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