ChemSpider 2D Image | (14R,18S,20S,23S,28S,34R)-28-[(2R)-2,3-Dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23-methyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0~3,11~.0~4,9~.0~16,20~]hexatr iaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone | C34H46N8O11S

(14R,18S,20S,23S,28S,34R)-28-[(2R)-2,3-Dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23-methyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.03,11.04,9.016,20]hexatr iaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone

  • Molecular FormulaC34H46N8O11S
  • Average mass774.841 Da
  • Monoisotopic mass774.300659 Da
  • ChemSpider ID171786

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(14R,18S,20S,23S,28S,34R)-28-[(2R)-2,3-Dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23-methyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.03,11.04,9.016,20]hexatr iaconta-3(11),4,6,8-tetraen-15,21,24,26,29,32,35-hepton [German] [ACD/IUPAC Name]
(14R,18S,20S,23S,28S,34R)-28-[(2R)-2,3-Dihydroxy-2-methylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23-methyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.03,11.04,9.016,20]hexatr iaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone [ACD/IUPAC Name]
(14R,18S,20S,23S,28S,34R)-28-[(2R)-2,3-Dihydroxy-2-méthylpropyl]-18-hydroxy-34-[(1S)-1-hydroxyéthyl]-23-méthyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.03,11.04,9.016,20]hexatr iaconta-3(11),4,6,8-tétraène-15,21,24,26,29,32,35-heptone [French] [ACD/IUPAC Name]
18,9-(Iminoethanoiminoethanoiminoethanoiminomethano)-17H-pyrrolo[1',2':5,6][1,5,8,11]thiatriazacyclopentadecino[15,14-b]indole-4,7,19,22,25,28,31(18H)-heptone, 29-[(2R)-2,3-dihydroxy-2-methylpropyl]-1 ,2,3,3a,5,6,8,9,10,15-decahydro-2-hydroxy-23-[(1S)-1-hydroxyethyl]-6-methyl-, (2S,3aS,6S,18R,23R,29S)- [ACD/Index Name]
1-Glycinephalloidin
64470-53-7 [RN]
Gly(1)-phallodin
Gly1-phalloidin
Phalloidin, 1-glycine-

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

BRN 5800739 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1386.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 220.2±3.0 kJ/mol
Flash Point: 792.1±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 193.1±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -6.24
ACD/LogD (pH 5.5): -4.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 317 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 90.0±5.0 dyne/cm
Molar Volume: 504.5±5.0 cm3

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