ChemSpider 2D Image | Ala-geninthiocin | C50H51N15O15S

Ala-geninthiocin

  • Molecular FormulaC50H51N15O15S
  • Average mass1134.096 Da
  • Monoisotopic mass1133.340942 Da
  • ChemSpider ID71116011

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(14S,17Z,27S)-N-(3-{[(2S)-1-Amino-1-oxo-2-propanyl]amino}-3-oxo-1-propen-2-yl)-17-ethyliden-14-[(1S)-1-hydroxyethyl]-27-(2-hydroxy-2-propanyl)-33-methyl-24,30,37,40-tetramethylen-12,15,22,25,28,35,38- ;heptaoxo-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecaazahexacyclo[39.2.1.18,11.118,21.131,34.02,7]heptatetraconta-1(43),2,4,6,8(47),10,18(46),20,31(45),33,41(44)-undecaen-4
 -carboxamid [German] [ACD/IUPAC Name]
(14S,17Z,27S)-N-(3-{[(2S)-1-Amino-1-oxo-2-propanyl]amino}-3-oxo-1-propen-2-yl)-17-ethylidene-14-[(1S)-1-hydroxyethyl]-27-(2-hydroxy-2-propanyl)-33-methyl-24,30,37,40-tetrakis(methylene)-12,15,22,25,28 ;,35,38-heptaoxo-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecaazahexacyclo[39.2.1.18,11.118,21.131,34.02,7]heptatetraconta-1(43),2,4,6,8(47),10,18(46),20,31(45),33,41(44)-und 
ecaene-4-carboxamide [ACD/IUPAC Name]
(14S,17Z,27S)-N-(3-{[(2S)-1-Amino-1-oxo-2-propanyl]amino}-3-oxo-1-propén-2-yl)-17-éthylidène-14-[(1S)-1-hydroxyéthyl]-27-(2-hydroxy-2-propanyl)-33-méthyl-24,30,37,40-tétraméthylène-12,15,22,25,28,35,3 ;8-heptaoxo-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodécaazahexacyclo[39.2.1.18,11.118,21.131,34.02,7]heptatétraconta-1(43),2,4,6,8(47),10,18(46),20,31(45),33,41(44)-undécaèn
 e-4-carboxamide [French] [ACD/IUPAC Name]
Ala-geninthiocin

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 278.9±0.4 cm3
#H bond acceptors: 30
#H bond donors: 13
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -4.67
ACD/LogD (pH 5.5): -4.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 478 Å2
Polarizability: 110.6±0.5 10-24cm3
Surface Tension: 89.9±5.0 dyne/cm
Molar Volume: 739.4±5.0 cm3

Click to predict properties on the Chemicalize site


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