ChemSpider 2D Image | [34-sec-Butyl-13-(3,4-dihydroxy-2-butanyl)-8,22-dihydroxy-27-oxido-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.0~6,10~.0~18,26~.0~19,24~]nonatriaconta-18( 26),19,21,23-tetraen-4-yl]acetic acid | C39H53N9O15S

[34-sec-Butyl-13-(3,4-dihydroxy-2-butanyl)-8,22-dihydroxy-27-oxido-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18( 26),19,21,23-tetraen-4-yl]acetic acid

  • Molecular FormulaC39H53N9O15S
  • Average mass919.954 Da
  • Monoisotopic mass919.338196 Da
  • ChemSpider ID2189

More details:

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

[34-sec-Butyl-13-(3,4-dihydroxy-2-butanyl)-8,22-dihydroxy-27-oxido-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(
 26),19,21,23-tetraen-4-yl]acetic acid [ACD/IUPAC Name]
[34-sec-Butyl-13-(3,4-dihydroxy-2-butanyl)-8,22-dihydroxy-27-oxido-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(
 26),19,21,23-tetraen-4-yl]essigsäure [German] [ACD/IUPAC Name]
9,18-(Iminoethanoiminoethanoiminoethanoiminomethano)pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indole-6-acetic acid, 21-(2,3-dihydroxy-1-methylpropyl)-1,2,3,5,6,7,8,9,10,12,17, 18,19,20,21,22,23,23a-octadecahydro-2,14-dihydroxy-29-(1-methylpropyl)-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide [ACD/Index Name]
Acide [34-sec-butyl-13-(3,4-dihydroxy-2-butanyl)-8,22-dihydroxy-2,5,11,14,30,33,36,39-octaoxo-27-oxydo-27-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriacon 
ta-18(26),19,21,23-tétraén-4-yl]acétique [French] [ACD/IUPAC Name]
?-Amanitin
[1-(L-aspartic acid)]-??-amanitin
13567-07-2 [RN]
21373-31-9 [RN]
9,18-(Iminoethaniminoethaniminoethaniminomethano)pyrrolo(1',2':8,9)(1,5,8,11,14)thiatetraazacyclooctadecino(18,17-b)indole-6-acetic acid, 1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-29-sec-butyl-2,14-dihydroxy-21-(2,3-dihydroxy-1-methylpropyl)-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide
β-Amanitin
More...

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

A1304_SIGMA [DBID]
BRN 1071139 [DBID]
HSDB 3459 [DBID]
NCI60_008881 [DBID]
NSC627727 [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: 1599.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 261.9±3.0 kJ/mol
Flash Point: 921.2±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 222.5±0.4 cm3
#H bond acceptors: 24
#H bond donors: 13
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -8.19
ACD/LogD (pH 5.5): -8.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 394 Å2
Polarizability: 88.2±0.5 10-24cm3
Surface Tension: 99.8±5.0 dyne/cm
Molar Volume: 578.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement