ChemSpider 2D Image | N'-[(Aminooxy)acetyl]-5-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanehydrazide | C12H21N5O4S

N'-[(Aminooxy)acetyl]-5-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanehydrazide

  • Molecular FormulaC12H21N5O4S
  • Average mass331.391 Da
  • Monoisotopic mass331.131439 Da
  • ChemSpider ID62573877

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 2-[2-(aminooxy)acetyl]hydrazide, (3aR,4S,6aR)- [ACD/Index Name]
N'-[(Aminooxy)acetyl]-5-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanehydrazide [ACD/IUPAC Name]
N'-[(Aminooxy)acetyl]-5-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanhydrazid [German] [ACD/IUPAC Name]
N'-[2-(Aminooxy)acétyl]-5-[(3aR,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanehydrazide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 772.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 421.2±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 81.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.02
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.06
Polar Surface Area: 160 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 253.0±3.0 cm3

Click to predict properties on the Chemicalize site


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