ChemSpider 2D Image | hoiamide D | C35H58N4O7S3

hoiamide D

  • Molecular FormulaC35H58N4O7S3
  • Average mass743.053 Da
  • Monoisotopic mass742.346741 Da
  • ChemSpider ID28185012

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(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-dim ethylheptanoic acid [ACD/IUPAC Name]
(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-dim ethylheptansäure [German] [ACD/IUPAC Name]
Acide (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-diméthylheptanoïque [French] [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-, (2R,3S,4S,5S)- [ACD/Index Name]
hoiamide D

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: 1.618
Molar Refractivity: 197.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 98.08
ACD/KOC (pH 5.5): 396.76
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 6.64
Polar Surface Area: 253 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 563.6±7.0 cm3

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