Found 28 results

Search term: MF = 'C_{39}H_{52}O_{7}'
ChemSpider 2D Image | 3-Hydroxy-1,2-propanediyl bis{7-[(2S,3S)-3-(8-nonen-1-yl)-2-oxiranyl]-4,6-heptadiynoate} | C39H52O7

3-Hydroxy-1,2-propanediyl bis{7-[(2S,3S)-3-(8-nonen-1-yl)-2-oxiranyl]-4,6-heptadiynoate}

  • Molecular FormulaC39H52O7
  • Average mass632.826 Da
  • Monoisotopic mass632.371277 Da
  • ChemSpider ID8614463

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3-Hydroxy-1,2-propandiyl-bis{7-[(2S,3S)-3-(8-nonen-1-yl)-2-oxiranyl]-4,6-heptadiinoat} [German] [ACD/IUPAC Name]
3-Hydroxy-1,2-propanediyl bis{7-[(2S,3S)-3-(8-nonen-1-yl)-2-oxiranyl]-4,6-heptadiynoate} [ACD/IUPAC Name]
4,6-Heptadiynoic acid, 7-[(2S,3S)-3-(8-nonen-1-yl)oxiranyl]-, 1-(hydroxymethyl)-1,2-ethanediyl ester [ACD/Index Name]
Bis{7-[(2S,3S)-3-(8-nonén-1-yl)-2-oxiranyl]-4,6-heptadiynoate} de 3-hydroxy-1,2-propanediyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 742.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.5±6.0 kJ/mol
Flash Point: 219.7±26.4 °C
Index of Refraction: 1.542
Molar Refractivity: 178.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 10.64
ACD/LogD (pH 5.5): 8.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1097797.13
ACD/LogD (pH 7.4): 8.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1097796.00
Polar Surface Area: 98 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 567.8±5.0 cm3

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