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Search term: 79715302 (Found by CSID)
ChemSpider 2D Image | ​penicilquei D | C20H27NO5

​penicilquei D

  • Molecular FormulaC20H27NO5
  • Average mass361.432 Da
  • Monoisotopic mass361.188934 Da
  • ChemSpider ID79715302

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

​penicilquei D
Acetamide, N-[4-hydroxy-5-[(1S,2Z,4Z)-1-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3-(hydroxymethyl)-2,4-hexadien-1-yl]-2-methoxyphenyl]- [ACD/Index Name]
N-{4-Hydroxy-5-[(2R,3E,5S,6Z,8Z)-2-hydroxy-7-(hydroxymethyl)-3,6,8-decatrien-5-yl]-2-methoxyphenyl}acetamid [German] [ACD/IUPAC Name]
N-{4-Hydroxy-5-[(2R,3E,5S,6Z,8Z)-2-hydroxy-7-(hydroxymethyl)-3,6,8-decatrien-5-yl]-2-methoxyphenyl}acetamide [ACD/IUPAC Name]
N-{4-Hydroxy-5-[(2R,3E,5S,6Z,8Z)-2-hydroxy-7-(hydroxyméthyl)-3,6,8-décatrién-5-yl]-2-méthoxyphényl}acétamide [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: 630.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 334.9±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 103.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.91
ACD/KOC (pH 5.5): 274.43
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.70
ACD/KOC (pH 7.4): 271.21
Polar Surface Area: 99 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 303.1±3.0 cm3

Click to predict properties on the Chemicalize site


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