Found 1 result

Search term: BCSCGCOVRJYILO-QEGBUVANSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-2-en-4-one | C14H16N2O6

(5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-2-en-4-one

  • Molecular FormulaC14H16N2O6
  • Average mass308.287 Da
  • Monoisotopic mass308.100830 Da
  • ChemSpider ID128441289

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-2-en-4-on [German] [ACD/IUPAC Name]
(5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-2-en-4-one [ACD/IUPAC Name]
(5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxyméthyl)-2-phényl-6-oxa-1,3-diazaspiro[4.5]déc-2-én-4-one [French] [ACD/IUPAC Name]
6-Oxa-1,3-diazaspiro[4.5]dec-2-en-4-one, 8,9,10-trihydroxy-7-(hydroxymethyl)-2-phenyl-, (5S,7R,8S,9S,10R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4514550/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 575.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 301.6±32.9 °C
Index of Refraction: 1.727
Molar Refractivity: 71.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 63.40
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 64.76
Polar Surface Area: 132 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 76.3±7.0 dyne/cm
Molar Volume: 180.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement