ChemSpider 2D Image | pseudotheonamide A2 | C36H45N9O8

pseudotheonamide A2

  • Molecular FormulaC36H45N9O8
  • Average mass731.798 Da
  • Monoisotopic mass731.339111 Da
  • ChemSpider ID8756173

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

3-({[(2R,3S,6R)-6-Benzyl-3-(4-hydroxybenzyl)-5-oxo-2-piperazinyl]acetyl}amino)-N-formyl-L-alanyl-N-[(8S,8aR)-3-amino-8a-hydroxy-1-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-L-prolinamid [German] [ACD/IUPAC Name]
3-({[(2R,3S,6R)-6-Benzyl-3-(4-hydroxybenzyl)-5-oxo-2-piperazinyl]acetyl}amino)-N-formyl-L-alanyl-N-[(8S,8aR)-3-amino-8a-hydroxy-1-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-L-prolinamide [ACD/IUPAC Name]
3-({2-[(2R,3S,6R)-6-Benzyl-3-(4-hydroxybenzyl)-5-oxo-2-pipérazinyl]acétyl}amino)-N-formyl-L-alanyl-N-[(8S,8aR)-3-amino-8a-hydroxy-1-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-8-yl]-L-prolinamide [French] [ACD/IUPAC Name]
L-Prolinamide, N-formyl-3-[[2-[(2R,3S,6R)-3-[(4-hydroxyphenyl)methyl]-5-oxo-6-(phenylmethyl)-2-piperazinyl]acetyl]amino]-L-alanyl-N-[(8S,8aR)-3-amino-1,5,6,7,8,8a-hexahydro-8a-hydroxy-1-oxoimidazo[1,5 -a]pyridin-8-yl]- [ACD/Index Name]
pseudotheonamide A2

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: 1.737
Molar Refractivity: 188.7±0.5 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -3.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.55
Polar Surface Area: 248 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 72.5±7.0 dyne/cm
Molar Volume: 469.5±7.0 cm3

Click to predict properties on the Chemicalize site


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