ChemSpider 2D Image | TP-1161 | C50H47N15O13S3

TP-1161

  • Molecular FormulaC50H47N15O13S3
  • Average mass1162.196 Da
  • Monoisotopic mass1161.264038 Da
  • ChemSpider ID27025017

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(14S,17E,31S)-17-Ethyliden-14-[(1R)-1-hydroxyethyl]-20,31-dimethyl-38,41-dimethylen-12,15,22,29,36,39-hexaoxo-N-[3-oxo-3-({3-oxo-3-[(2-oxopropyl)amino]-1-propen-2-yl}amino)-1-propen-2-yl]-19,43-dioxa- ;9,26,33-trithia-3,13,16,23,30,37,40,45,46,47,48,49-dodecaazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2,4,6,8(49),10,18(48),20,25(47),27,32(46),34,42(45)-trideca en-4-carboxamid [German] [ACD/IUPAC Name]
(14S,17E,31S)-17-Ethylidene-14-[(1R)-1-hydroxyethyl]-20,31-dimethyl-38,41-bis(methylene)-12,15,22,29,36,39-hexaoxo-N-[3-oxo-3-({3-oxo-3-[(2-oxopropyl)amino]-1-propen-2-yl}amino)-1-propen-2-yl]-19,43-d ;ioxa-9,26,33-trithia-3,13,16,23,30,37,40,45,46,47,48,49-dodecaazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2,4,6,8(49),10,18(48),20,25(47),27,32(46),34,42(45)-tr idecaene-4-carboxamide [ACD/IUPAC Name]
(14S,17E,31S)-17-Éthylidène-14-[(1R)-1-hydroxyéthyl]-20,31-diméthyl-38,41-diméthylène-12,15,22,29,36,39-hexaoxo-N-[3-oxo-3-({3-oxo-3-[(2-oxopropyl)amino]-1-propén-2-yl}amino)-1-propén-2-yl]-19,43-diox ;a-9,26,33-trithia-3,13,16,23,30,37,40,45,46,47,48,49-dodécaazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatétraconta-1(44),2,4,6,8(49),10,18(48),20,25(47),27,32(46),34,42(45)-tridé caène-4-carboxamide [French] [ACD/IUPAC Name]
TP-1161

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 286.7±0.4 cm3
#H bond acceptors: 28
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.08
ACD/LogD (pH 5.5): -3.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 488 Å2
Polarizability: 113.6±0.5 10-24cm3
Surface Tension: 93.6±5.0 dyne/cm
Molar Volume: 743.2±5.0 cm3

Click to predict properties on the Chemicalize site


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