ChemSpider 2D Image | N',N'-{[(2R)-3-Amino-1,2-propanediyl]bis(oxymethylene-3,1-phenylene)}di(2-thiophenecarboximidamide) | C27H29N5O2S2

N',N'-{[(2R)-3-Amino-1,2-propanediyl]bis(oxymethylene-3,1-phenylene)}di(2-thiophenecarboximidamide)

  • Molecular FormulaC27H29N5O2S2
  • Average mass519.682 Da
  • Monoisotopic mass519.176270 Da
  • ChemSpider ID35033859

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Thiophenecarboximidamide, N-[3-[[(2R)-3-amino-2-[[3-[[(1E)-amino-2-thienylmethylene]amino]phenyl]methoxy]propoxy]methyl]phenyl]- [ACD/Index Name]
N',N'-{[(2R)-3-Amino-1,2-propandiyl]bis(oxymethylen-3,1-phenylen)}di(2-thiophencarboximidamid) [German] [ACD/IUPAC Name]
N',N'-{[(2R)-3-Amino-1,2-propanediyl]bis(oxymethylene-3,1-phenylene)}di(2-thiophenecarboximidamide) [ACD/IUPAC Name]
N',N'-{[(2R)-3-Amino-1,2-propanediyl]bis(oxyméthylène-3,1-phénylène)}di(2-thiophènecarboximidamide) [French] [ACD/IUPAC Name]
N',N'-{[(2r)-3-Aminopropane-1,2-Diyl]bis(Oxymethanediylbenzene-3,1-Diyl)}dithiophene-2-Carboximidamide
I5U

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.3±35.7 °C
Index of Refraction: 1.668
Molar Refractivity: 147.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 82.18
ACD/KOC (pH 7.4): 476.25
Polar Surface Area: 175 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 394.4±7.0 cm3

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