ChemSpider 2D Image | Biricodar | C34H41N3O7

Biricodar

  • Molecular FormulaC34H41N3O7
  • Average mass603.705 Da
  • Monoisotopic mass603.294434 Da
  • ChemSpider ID2301309
  • defined stereocentres - 1 of 1 defined stereocentres


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Featured data source



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

(2S)-1-[2-Oxo-2-(3,4,5-triméthoxyphényl)acétyl]-2-pipéridinecarboxylate de 1,7-di(3-pyridinyl)-4-heptanyle [French] [ACD/IUPAC Name]
(S)-1-[Oxo(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinecarboxylic Acid 4-(3-Pyridinyl)-1-[3-(3-pyridinyl)propyl]butyl Ester
1,7-Di(3-pyridinyl)-4-heptanyl (2S)-1-[oxo(3,4,5-trimethoxyphenyl)acetyl]-2-piperidinecarboxylate [ACD/IUPAC Name]
1,7-Di(3-pyridinyl)-4-heptanyl-(2S)-1-[oxo(3,4,5-trimethoxyphenyl)acetyl]-2-piperidincarboxylat [German] [ACD/IUPAC Name]
1,7-di(pyridin-3-yl)heptan-4-yl (2S)-1-[oxo(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
159997-94-1 [RN]
174254-13-8 [RN]
2-Piperidinecarboxylic acid, 1-[1,2-dioxo-2-(3,4,5-trimethoxyphenyl)ethyl]-, 4-(3-pyridinyl)-1-[3-(3-pyridinyl)propyl]butyl ester, (2S)- [ACD/Index Name]
3KG76X4KJK
7664
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 752.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.7±35.7 °C
Index of Refraction: 1.566
Molar Refractivity: 164.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 248.42
ACD/KOC (pH 5.5): 1219.59
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 959.61
ACD/KOC (pH 7.4): 4711.00
Polar Surface Area: 117 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 505.1±3.0 cm3

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