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Search term: 27024581 (Found by CSID)
ChemSpider 2D Image | hantupeptin B | C41H62N4O8

hantupeptin B

  • Molecular FormulaC41H62N4O8
  • Average mass738.953 Da
  • Monoisotopic mass738.456787 Da
  • ChemSpider ID27024581

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source
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(3S,6S,7R,10S,13S,16S,21aS)-16-Benzyl-13-[(2S)-2-butanyl]-3,10-diisopropyl-2,7,12-trimethyl-6-(4-penten-1-yl)decahydro-6H-pyrrolo[2,1-f][1,10,4,7,13,16]dioxatetraazacyclononadecin-1,4,8,11,14,17(7H,16 H)-hexon [German] [ACD/IUPAC Name]
(3S,6S,7R,10S,13S,16S,21aS)-16-Benzyl-13-[(2S)-2-butanyl]-3,10-diisopropyl-2,7,12-trimethyl-6-(4-penten-1-yl)decahydro-6H-pyrrolo[2,1-f][1,10,4,7,13,16]dioxatetraazacyclononadecine-1,4,8,11,14,17(7H,1 6H)-hexone [ACD/IUPAC Name]
(3S,6S,7R,10S,13S,16S,21aS)-16-Benzyl-13-[(2S)-2-butanyl]-3,10-diisopropyl-2,7,12-triméthyl-6-(4-pentén-1-yl)décahydro-6H-pyrrolo[2,1-f][1,10,4,7,13,16]dioxatétraazacyclononadécine-1,4,8,11,14,17(7H,1 6H)-hexone [French] [ACD/IUPAC Name]
6H-Pyrrolo[2,1-f][1,10,4,7,13,16]dioxatetraazacyclononadecine-1,4,8,11,14,17(7H,16H)-hexone, decahydro-2,7,12-trimethyl-3,10-bis(1-methylethyl)-13-[(1S)-1-methylpropyl]-6-(4-penten-1-yl)-16-(phenylmet hyl)-, (3S,6S,7R,10S,13S,16S,21aS)- [ACD/Index Name]
hantupeptin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 931.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 517.1±34.3 °C
Index of Refraction: 1.550
Molar Refractivity: 203.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1768.29
ACD/KOC (pH 5.5): 7348.46
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1768.29
ACD/KOC (pH 7.4): 7348.47
Polar Surface Area: 143 Å2
Polarizability: 80.8±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 640.0±5.0 cm3

Click to predict properties on the Chemicalize site


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