ChemSpider 2D Image | {(1R,5S,6S)-6-[(~15~N)Amino(~2~H_2_)methyl]-3-ethylbicyclo[3.2.0]hept-3-en-6-yl}(~13~C_2_)acetic acid | C1013C2H17D215NO2

{(1R,5S,6S)-6-[(15N)Amino(2H2)methyl]-3-ethylbicyclo[3.2.0]hept-3-en-6-yl}(13C2)acetic acid

  • Molecular FormulaC1013C2H17D215NO2
  • Average mass214.276 Da
  • Monoisotopic mass214.157883 Da
  • ChemSpider ID128919270

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

{(1R,5S,6S)-6-[(15N)Amino(2H2)methyl]-3-ethylbicyclo[3.2.0]hept-3-en-6-yl}(13C2)acetic acid [ACD/IUPAC Name]
{(1R,5S,6S)-6-[(15N)Amino(2H2)methyl]-3-ethylbicyclo[3.2.0]hept-3-en-6-yl}(13C2)essigsäure [German] [ACD/IUPAC Name]
Acide {(1R,5S,6S)-6-[(15N)amino(2H2)méthyl]-3-éthylbicyclo[3.2.0]hept-3-én-6-yl}(13C2)acétique [French] [ACD/IUPAC Name]
Bicyclo[3.2.0]hept-3-ene-6-acetic-α,carboxy-13C2 acid, 6-(amino-15N-methyl-d2)-3-ethyl-, (1R,5S,6S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.527
Molar Refractivity: 58.3±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 189.4±3.0 cm3

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