ChemSpider 2D Image | (2R,4S,5S)-N-[(2S,3R,4S)-1-Cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide | C30H49NO5

(2R,4S,5S)-N-[(2S,3R,4S)-1-Cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide

  • Molecular FormulaC30H49NO5
  • Average mass503.714 Da
  • Monoisotopic mass503.361084 Da
  • ChemSpider ID4883439

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,4S,5S)-N-[(2S,3R,4S)-1-Cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamid [German] [ACD/IUPAC Name]
(2R,4S,5S)-N-[(2S,3R,4S)-1-Cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide [ACD/IUPAC Name]
(2R,4S,5S)-N-[(2S,3R,4S)-1-Cyclohexyl-3,4-dihydroxy-6-méthyl-2-heptanyl]-2-(cyclopropylméthyl)-4,5-dihydroxy-6-phénylhexanamide [French] [ACD/IUPAC Name]
(2r,4s,5s)-N-[(2s,3r,4s)-1-Cyclohexyl-3,4-Dihydroxy-6-Methylheptan-2-Yl]-2-(Cyclopropylmethyl)-4,5-Dihydroxy-6-Phenylhexanamide
Benzenehexanamide, N-[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-α-(cyclopropylmethyl)-γ,δ-dihydroxy-, (αR,γS,δS)- [ACD/Index Name]
03D
PPP-CPP-CHA-IP3

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

Density: 1.1±0.1 g/cm3
Boiling Point: 727.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.5±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 143.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 480.23
ACD/KOC (pH 5.5): 2890.57
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 480.23
ACD/KOC (pH 7.4): 2890.57
Polar Surface Area: 110 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 447.2±3.0 cm3

Click to predict properties on the Chemicalize site


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