Found 7 results

Search term: YIJVJFCLUNYXQX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (20R,23S)-20-[(2R)-2-Butanyl]-23-isopropyl-26-methylene-16-phenyl-3,11,15,28-tetraoxa-7-thia-19,22,25,30,31,32,33,34-octaazahexacyclo[25.2.1.1~2,5~.1~6,9~.1~10,13~.1~14,17~]tetratriaconta-1(29),2(34), 4,6(33),8,10(32),12,14(31),16,27(30)-decaene-18,21,24-trione | C35H32N8O7S

(20R,23S)-20-[(2R)-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

  • Molecular FormulaC35H32N8O7S
  • Average mass708.743 Da
  • Monoisotopic mass708.211465 Da
  • ChemSpider ID20566153

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(20R,23S)-20-[(2R)-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-[(2R)-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-[(2R)-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),16,27(30),29-decaene-18,21,24-trione, 26-meth
 ylene-23-(1-methylethyl)-20-[(1R)-1-methylpropyl]-16-phenyl-, (20R,23S)- [ACD/Index Name]
ib-01211

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

Density: 1.5±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 180.9±0.0 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): 3.55
ACD/BCF (pH 5.5): 294.70
ACD/KOC (pH 5.5): 2036.61
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 294.68
ACD/KOC (pH 7.4): 2036.52
Polar Surface Area: 206 Å2
Polarizability: 71.7±0.0 10-24cm3
Surface Tension: 80.8±0.0 dyne/cm
Molar Volume: 485.0±0.0 cm3

Click to predict properties on the Chemicalize site


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