ChemSpider 2D Image | mechercharmycin A | C35H32N8O7S

mechercharmycin A

  • Molecular FormulaC35H32N8O7S
  • Average mass708.743 Da
  • Monoisotopic mass708.211487 Da
  • ChemSpider ID9540986

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
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(20R,23S)-20-[(2S)-2-Butanyl]-23-isopropyl-26-methylen-16-phenyl-3,11,15,28-tetraoxa-7-thia-19,22,25,30,31,32,33,34-octaazahexacyclo[25.2.1.12,5.16,9.110,13.114,17]tetratriaconta-1(29),2(34),4 ;,6(33),8,10(32),12,14(31),16,27(30)-decaen-18,21,24-trion [German] [ACD/IUPAC Name]
(20R,23S)-20-[(2S)-2-Butanyl]-23-isopropyl-26-methylene-16-phenyl-3,11,15,28-tetraoxa-7-thia-19,22,25,30,31,32,33,34-octaazahexacyclo[25.2.1.12,5.16,9.110,13.114,17]tetratriaconta-1(29),2(34), 4,6(33),8,10(32),12,14(31),16,27(30)-decaene-18,21,24-trione [ACD/IUPAC Name]
(20R,23S)-20-[(2S)-2-Butanyl]-23-isopropyl-26-méthylène-16-phényl-3,11,15,28-tétraoxa-7-thia-19,22,25,30,31,32,33,34-octaazahexacyclo[25.2.1.12,5.16,9.110,13.114,17]tétratriaconta-1(29),2(34), 4,6(33),8,10(32),12,14(31),16,27(30)-décaène-18,21,24-trione [French] [ACD/IUPAC Name]
3,11,15,28-tetraoxa-7-thia-19,22,25,30,31,32,33,34-octaazahexacyclo[25.2.1.12,5.16,9.110,13.114,17]tetratriaconta-2(34),4,6(33),8,10(32),12,14(31),16,18,21,24,27(30),29-tridecaene-18,21,24-triol, 26-methylene-23-(1-methylethyl)-20-[(1S)-1-methylpropyl]-16-phenyl-, (20R,21E,23S,24E)-
3,11,15,28-Tetraoxa-7-thia-19,22,25,30,31,32,33,34-octaazahexacyclo[25.2.1.12,5.16,9.110,13.114,17]tetratriaconta-2(34),4,6(33),8,10(32),12,14(31),16,27(30),29-decaene-18,21,24-trione, 26-meth
 ylene-23-(1-methylethyl)-20-[(1S)-1-methylpropyl]-16-phenyl-, (20R,23S)- [ACD/Index Name]
mechercharmycin A
(20R,23S)-20-[(2S)-butan-2-yl]-26-methylidene-16-phenyl-23-propan-2-yl-3,11,15,28-tetraoxa-7-thia-19,22,25,30,31,32,33,34-octazahexacyclo[25.2.1.12,5.16,9.110,13.114,17]tetratriaconta-1(29),2(34),4,6(33),8,10(32),12,14(31),16,27(30)-decaene-18,21,24-trione
822520-96-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 180.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.79
ACD/KOC (pH 5.5): 1302.33
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.79
ACD/KOC (pH 7.4): 1302.28
Polar Surface Area: 233 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 80.9±5.0 dyne/cm
Molar Volume: 485.1±5.0 cm3

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