ChemSpider 2D Image | N-[(12E,14E,20E,22E)-2,3,5,7-Tetrahydroxy-28-(N-hydroxycarbamimidamido)-8-methyl-19-oxo-12,14,20,22-octacosatetraenoyl]glycine | C32H54N4O9

N-[(12E,14E,20E,22E)-2,3,5,7-Tetrahydroxy-28-(N-hydroxycarbamimidamido)-8-methyl-19-oxo-12,14,20,22-octacosatetraenoyl]glycine

  • Molecular FormulaC32H54N4O9
  • Average mass638.793 Da
  • Monoisotopic mass638.389099 Da
  • ChemSpider ID4948149

  • Double-bond stereo - Double-bond stereo

More details:

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

N-[(12E,14E,20E,22E)-2,3,5,7-Tetrahydroxy-28-(N-hydroxycarbamimidamido)-8-methyl-19-oxo-12,14,20,22-octacosatetraenoyl]glycin [German] [ACD/IUPAC Name]
N-[(12E,14E,20E,22E)-2,3,5,7-Tetrahydroxy-28-(N-hydroxycarbamimidamido)-8-methyl-19-oxo-12,14,20,22-octacosatetraenoyl]glycine [ACD/IUPAC Name]
N-[(12E,14E,20E,22E)-2,3,5,7-Tétrahydroxy-28-(N-hydroxycarbamimidamido)-8-méthyl-19-oxo-12,14,20,22-octacosatetraenoyl]glycine [French] [ACD/IUPAC Name]
[(12E,14E,20E,22E)-2,3,5,7-TETRAHYDROXY-28-(N-HYDROXYCARBAMIMIDAMIDO)-8-METHYL-19-OXOOCTACOSA-12,14,20,22-TETRAENAMIDO]ACETIC ACID
120527-86-8 [RN]
122005-24-7 [RN]
Octacosamicin B

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.548
Molar Refractivity: 168.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 238 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 530.3±7.0 cm3

Click to predict properties on the Chemicalize site


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