ChemSpider 2D Image | (3R,3'S)-3'-(3-Hydroxyphenyl)-4-methylspiro[1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione | C17H14N2O4

(3R,3'S)-3'-(3-Hydroxyphenyl)-4-methylspiro[1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione

  • Molecular FormulaC17H14N2O4
  • Average mass310.304 Da
  • Monoisotopic mass310.095367 Da
  • ChemSpider ID30656810

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,3'S)-3'-(3-Hydroxyphenyl)-4-methylspiro[1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dion [German] [ACD/IUPAC Name]
(3R,3'S)-3'-(3-Hydroxyphenyl)-4-methylspiro[1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione [ACD/IUPAC Name]
(3R,3'S)-3'-(3-Hydroxyphényl)-4-méthylspiro[1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione [French] [ACD/IUPAC Name]
Spiro[3H-1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione, 3'-(3-hydroxyphenyl)-4-methyl-, (3R,3'S)- [ACD/Index Name]
(-)-Cyclopenol
(+)-cyclopenol
(3S,3'R)-3'-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
20007-85-6 [RN]
BRD-K36544484-001-01-3
Cyclopenol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 633.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 336.7±31.5 °C
Index of Refraction: 1.720
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 60.56
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.16
ACD/KOC (pH 7.4): 60.21
Polar Surface Area: 82 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 206.4±5.0 cm3

Click to predict properties on the Chemicalize site


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