Found 34 results

Search term: MF = 'C_{33}H_{47}NO_{9}'
ChemSpider 2D Image | (1S,4R,5S,6R,7R)-1-[(4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenylhexyl]-4-amino-6-{[(2E,4S,6S)-4,6-dimethyl-2-octenoyl]oxy}-7-hydroxy-2,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid (non-preferred n ame) | C33H47NO9

(1S,4R,5S,6R,7R)-1-[(4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenylhexyl]-4-amino-6-{[(2E,4S,6S)-4,6-dimethyl-2-octenoyl]oxy}-7-hydroxy-2,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid (non-preferred n ame)

  • Molecular FormulaC33H47NO9
  • Average mass601.728 Da
  • Monoisotopic mass601.325073 Da
  • ChemSpider ID8659152

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4R,5S,6R,7R)-1-[(4S,5R)-4-Acetoxy-5-methyl-3-methylen-6-phenylhexyl]-4-amino-6-{[(2E,4S,6S)-4,6-dimethyl-2-octenoyl]oxy}-7-hydroxy-2,8-dioxabicyclo[3.2.1]octan-5-carbonsäure [German] [ACD/IUPAC Name]
(1S,4R,5S,6R,7R)-1-[(4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenylhexyl]-4-amino-6-{[(2E,4S,6S)-4,6-dimethyl-2-octenoyl]oxy}-7-hydroxy-2,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid (non-preferred n ame) [ACD/IUPAC Name]
Acide (1S,4R,5S,6R,7R)-1-[(4S,5R)-4-acétoxy-5-méthyl-3-méthylène-6-phénylhexyl]-4-amino-6-{[(2E,4S,6S)-4,6-diméthyl-2-octenoyl]oxy}-7-hydroxy-2,8-dioxabicyclo[3.2.1]octane-5-carboxylique (non-preferre d name) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 714.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.0±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 161.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 8.88
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 15.18
ACD/KOC (pH 5.5): 47.17
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 5.20
ACD/KOC (pH 7.4): 16.14
Polar Surface Area: 155 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 497.5±5.0 cm3

Click to predict properties on the Chemicalize site


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