ChemSpider 2D Image | obyanamide | C30H41N5O6S

obyanamide

  • Molecular FormulaC30H41N5O6S
  • Average mass599.741 Da
  • Monoisotopic mass599.277771 Da
  • ChemSpider ID552662
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(2S,5S,8S,11S,15S)-5-Benzyl-15-ethyl-8-isopropyl-2,6,9,11-tetramethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),18-dien-4,7,10,13,17-penton [German] [ACD/IUPAC Name]
(2S,5S,8S,11S,15S)-5-Benzyl-15-ethyl-8-isopropyl-2,6,9,11-tetramethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone [ACD/IUPAC Name]
(2S,5S,8S,11S,15S)-5-Benzyl-15-éthyl-8-isopropyl-2,6,9,11-tétraméthyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]hénicosa-1(21),18-diène-4,7,10,13,17-pentone [French] [ACD/IUPAC Name]
12-Oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]heneicosa-1(21),18-diene-4,7,10,13,17-pentone, 15-ethyl-2,6,9,11-tetramethyl-8-(1-methylethyl)-5-(phenylmethyl)-, (2S,5S,8S,11S,15S)- [ACD/Index Name]
obyanamide
(2S,5S,8S,11S,15S)-5-benzyl-15-ethyl-2,6,9,11-tetramethyl-8-(propan-2-yl)-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
(4S,8S,11S,14S,17S)-14-benzyl-4-ethyl-8,10,13,17-tetramethyl-11-propan-2-yl-7-oxa-19-thia-3,10,13,16,21-pentazabicyclo[16.2.1]henicosa-1(20),18(21)-diene-2,6,9,12,15-pentone
5-Benzyl-15-ethyl-8-isopropyl-2,6,9,11-tetramethyl-12-oxa-20-thia-3,6,9,16,21-pentaaza-bicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentaone
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66805
rel-(2R,5R,8R,11R,15R)-5-benzyl-15-ethyl-8-isopropyl-2,6,9,11-tetramethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
  • Miscellaneous
    • Chemical Class:

      A cyclodepsipeptide isolated from <ital>Lyngbya confervoides</ital> and has been shown to exhibit antineoplastic activity. ChEBI CHEBI:66805

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 901.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±3.0 kJ/mol
Flash Point: 498.9±34.3 °C
Index of Refraction: 1.515
Molar Refractivity: 159.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.51
ACD/KOC (pH 5.5): 133.02
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.51
ACD/KOC (pH 7.4): 133.02
Polar Surface Area: 166 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 527.5±3.0 cm3

Click to predict properties on the Chemicalize site






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