ChemSpider 2D Image | (16Z)-7-Acetyl-13-ethyl-16-ethylidene-4-[(7-methoxy-1H-indol-3-yl)methyl]-7,18,22-trimethyl-24-thia-3,6,9,12,15,18,21,26-octaazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone | C36H45N9O9S

(16Z)-7-Acetyl-13-ethyl-16-ethylidene-4-[(7-methoxy-1H-indol-3-yl)methyl]-7,18,22-trimethyl-24-thia-3,6,9,12,15,18,21,26-octaazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone

  • Molecular FormulaC36H45N9O9S
  • Average mass779.862 Da
  • Monoisotopic mass779.306091 Da
  • ChemSpider ID8570885

  • Double-bond stereo - Double-bond stereo

More details:

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

(16Z)-7-Acetyl-13-ethyl-16-ethyliden-4-[(7-methoxy-1H-indol-3-yl)methyl]-7,18,22-trimethyl-24-thia-3,6,9,12,15,18,21,26-octaazabicyclo[21.2.1]hexacosa-1(25),23(26)-dien-2,5,8,11,14,17,20-hepton [German] [ACD/IUPAC Name]
(16Z)-7-Acetyl-13-ethyl-16-ethylidene-4-[(7-methoxy-1H-indol-3-yl)methyl]-7,18,22-trimethyl-24-thia-3,6,9,12,15,18,21,26-octaazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone [ACD/IUPAC Name]
(16Z)-7-Acétyl-13-éthyl-16-éthylidène-4-[(7-méthoxy-1H-indol-3-yl)méthyl]-7,18,22-triméthyl-24-thia-3,6,9,12,15,18,21,26-octaazabicyclo[21.2.1]hexacosa-1(25),23(26)-diène-2,5,8,11,14,17,20-heptone [French] [ACD/IUPAC Name]
24-Thia-3,6,9,12,15,18,21,26-octaazabicyclo[21.2.1]hexacosa-23(26),25-diene-2,5,8,11,14,17,20-heptone, 7-acetyl-13-ethyl-16-ethylidene-4-[(7-methoxy-1H-indol-3-yl)methyl]-7,18,22-trimethyl-, (16Z)- [ACD/Index Name]
221197-33-7 [RN]
Zelcovamycin
Zelkovamycin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1291.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 194.5±3.0 kJ/mol
Flash Point: 734.9±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 201.8±0.3 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -2.82
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.65
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.64
Polar Surface Area: 278 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 622.4±3.0 cm3

Click to predict properties on the Chemicalize site


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