ChemSpider 2D Image | 2-(Adamantan-1-ylamino)-2-oxoethyl N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-L-valinate | C25H34N2O7S

2-(Adamantan-1-ylamino)-2-oxoethyl N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-L-valinate

  • Molecular FormulaC25H34N2O7S
  • Average mass506.612 Da
  • Monoisotopic mass506.208679 Da
  • ChemSpider ID10907860

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

2-(Adamantan-1-ylamino)-2-oxoethyl N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-L-valinate [ACD/IUPAC Name]
2-(Adamantan-1-ylamino)-2-oxoethyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]-, 2-oxo-2-(tricyclo[3.3.1.13,7]dec-1-ylamino)ethyl ester [ACD/Index Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-L-valinate de 2-(adamantan-1-ylamino)-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 128.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 760.62
ACD/KOC (pH 5.5): 4016.82
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 732.97
ACD/KOC (pH 7.4): 3870.77
Polar Surface Area: 128 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 373.5±5.0 cm3

Click to predict properties on the Chemicalize site


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