ChemSpider 2D Image | 28-[2,3-Dihydroxy-2-(hydroxymethyl)propyl]-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-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-te traene-15,21,24,26,29,32,35-heptone | C35H48N8O12S

28-[2,3-Dihydroxy-2-(hydroxymethyl)propyl]-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-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-te traene-15,21,24,26,29,32,35-heptone

  • Molecular FormulaC35H48N8O12S
  • Average mass804.867 Da
  • Monoisotopic mass804.311218 Da
  • ChemSpider ID103147

More details:

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

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-[2,3-dihydroxy-2-(hydroxymethyl)propy l]-1,2,3,3a,5,6,8,9,10,15-decahydro-2-hydroxy-23-(1-hydroxyethyl)-6,26-dimethyl- [ACD/Index Name]
28-[2,3-Dihydroxy-2-(hydroxymethyl)propyl]-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-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-te ;traen-15,21,24,26,29,32,35-hepton [German] [ACD/IUPAC Name]
28-[2,3-Dihydroxy-2-(hydroxymethyl)propyl]-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-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-te ;traene-15,21,24,26,29,32,35-heptone [ACD/IUPAC Name]
28-[2,3-Dihydroxy-2-(hydroxyméthyl)propyl]-18-hydroxy-34-(1-hydroxyéthyl)-23,31-diméthyl-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-té ;traène-15,21,24,26,29,32,35-heptone [French] [ACD/IUPAC Name]
18,9-(Iminoethaniminoethaniminoethaniminomethano)-17H-pyrrolo(1',2':5,6)(1,5,8,11)thiatriazacyclopentadecino(15,14-b)indole-4,7,19,22,25,28,31(18H)-heptone,1,2,3,3a,5,6,8,9,10,15-decahydro-29-(2,3-dihydroxy-2-(hydroxymethyl)propyl)-6,26-dimethyl-2-hydroxy-23-(1-hydroxyethyl)-
19774-69-7 [RN]
Phallisin

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

BRN 3028749 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1444.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 231.2±3.0 kJ/mol
Flash Point: 827.1±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 199.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -6.39
ACD/LogD (pH 5.5): -5.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 337 Å2
Polarizability: 79.0±0.5 10-24cm3
Surface Tension: 92.9±5.0 dyne/cm
Molar Volume: 518.2±5.0 cm3

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