ChemSpider 2D Image | hoiamide C | C37H62N4O7S3

hoiamide C

  • Molecular FormulaC37H62N4O7S3
  • Average mass771.106 Da
  • Monoisotopic mass770.378052 Da
  • ChemSpider ID25032428

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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(2R,3S,4S,5S)-4-[({(4S,4'R)-2''-[(2S,3R,4R,5S,6S,7R)-4,6-Dihydroxy-2-méthoxy-3,5,7-triméthyldécyl]-4,4'-diméthyl-4,4',5,5'-tétrahydro-2,4':2',4''-ter-1,3-thiazol-4-yl}carbonyl)amino]-3-hydroxy-2,5-dim éthylheptanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (2R,3S,4S,5S)-4-[({(4S,4'R)-2''-[(2S,3R,4R,5S,6S,7R)-4,6-dihydroxy-2-methoxy-3,5,7-trimethyldecyl]-4,4'-dimethyl-4,4',5,5'-tetrahydro-2,4':2',4''-ter-1,3-thiazol-4-yl}carbonyl)amino]-3-hydroxy-2 ,5-dimethylheptanoate [ACD/IUPAC Name]
Ethyl-(2R,3S,4S,5S)-4-[({(4S,4'R)-2''-[(2S,3R,4R,5S,6S,7R)-4,6-dihydroxy-2-methoxy-3,5,7-trimethyldecyl]-4,4'-dimethyl-4,4',5,5'-tetrahydro-2,4':2',4''-ter-1,3-thiazol-4-yl}carbonyl)amino]-3-hydroxy-2 ,5-dimethylheptanoat [German] [ACD/IUPAC Name]
Heptanoic acid, 4-[[[(4S,4'R)-2''-[(2S,3R,4R,5S,6S,7R)-4,6-dihydroxy-2-methoxy-3,5,7-trimethyldecyl]-4,4',5,5'-tetrahydro-4,4'-dimethyl[2,4':2',4''-terthiazol]-4-yl]carbonyl]amino]-3-hydroxy-2,5-dimet hyl-, ethyl ester, (2R,3S,4S,5S)- [ACD/Index Name]
hoiamide C

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 207.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8431.77
ACD/KOC (pH 5.5): 22476.07
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8434.64
ACD/KOC (pH 7.4): 22483.72
Polar Surface Area: 242 Å2
Polarizability: 82.1±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 603.9±7.0 cm3

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