Found 10 results

Search term: MF = 'C_{37}H_{50}N_{8}O_{13}S'
ChemSpider 2D Image | (2R)-[(1S,14R,18S,20S,23S,28S,31S,34R)-28-[(2R)-2,3-Dihydroxy-2-methylpropyl]-18-hydroxy-31-isopropyl-23-methyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11 .0~3,11~.0~4,9~.0~16,20~]hexatriaconta-3(11),4,6,8-tetraen-34-yl](hydroxy)acetic acid | C37H50N8O13S

(2R)-[(1S,14R,18S,20S,23S,28S,31S,34R)-28-[(2R)-2,3-Dihydroxy-2-methylpropyl]-18-hydroxy-31-isopropyl-23-methyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11 .03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-34-yl](hydroxy)acetic acid

  • Molecular FormulaC37H50N8O13S
  • Average mass846.904 Da
  • Monoisotopic mass846.321777 Da
  • ChemSpider ID76962619

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(2R)-[(1S,14R,18S,20S,23S,28S,31S,34R)-28-[(2R)-2,3-Dihydroxy-2-methylpropyl]-18-hydroxy-31-isopropyl-23-methyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11 ;.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-34-yl](hydroxy)acetic acid [ACD/IUPAC Name]
(2R)-[(1S,14R,18S,20S,23S,28S,31S,34R)-28-[(2R)-2,3-Dihydroxy-2-methylpropyl]-18-hydroxy-31-isopropyl-23-methyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11 ;.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-34-yl](hydroxy)essigsäure [German] [ACD/IUPAC Name]
18,9-(Iminoethanoiminoethanoiminoethanoiminomethano)-17H-pyrrolo[1',2':5,6][1,5,8,11]thiatriazacyclopentadecino[15,14-b]indole-23-acetic acid, 29-[(2R)-2,3-dihydroxy-2-methylpropyl]-1,2,3,3a,4,5,6,7,8 ;,9,10,15,18,19-tetradecahydro-α,2-dihydroxy-6-methyl-26-(1-methylethyl)-4,7,19,22,25,28,31-heptaoxo-, (αR,2S,3aS,6S,9S,18R,23R,26S,29S)- [ACD/Index Name]
Acide (2R)-[(1S,14R,18S,20S,23S,28S,31S,34R)-28-[(2R)-2,3-dihydroxy-2-méthylpropyl]-18-hydroxy-31-isopropyl-23-méthyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12 ;.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tétraén-34-yl](hydroxy)acétique [French] [ACD/IUPAC Name]
26645-35-2 [RN]
Phallacidin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1435.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 229.5±3.0 kJ/mol
Flash Point: 821.8±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 208.6±0.4 cm3
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -4.78
ACD/LogD (pH 5.5): -6.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 354 Å2
Polarizability: 82.7±0.5 10-24cm3
Surface Tension: 91.3±5.0 dyne/cm
Molar Volume: 547.5±5.0 cm3

Click to predict properties on the Chemicalize site


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