ChemSpider 2D Image | (2S)-8-[(3,5-Dinitrophenyl)sulfonyl]-2-methyl-1,4-dioxa-8-azaspiro[4.5]decane | C14H17N3O8S

(2S)-8-[(3,5-Dinitrophenyl)sulfonyl]-2-methyl-1,4-dioxa-8-azaspiro[4.5]decane

  • Molecular FormulaC14H17N3O8S
  • Average mass387.365 Da
  • Monoisotopic mass387.073639 Da
  • ChemSpider ID34217899

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-8-[(3,5-Dinitrophenyl)sulfonyl]-2-methyl-1,4-dioxa-8-azaspiro[4.5]decan [German] [ACD/IUPAC Name]
(2S)-8-[(3,5-Dinitrophenyl)sulfonyl]-2-methyl-1,4-dioxa-8-azaspiro[4.5]decane [ACD/IUPAC Name]
(2S)-8-[(3,5-Dinitrophényl)sulfonyl]-2-méthyl-1,4-dioxa-8-azaspiro[4.5]décane [French] [ACD/IUPAC Name]
1,4-Dioxa-8-azaspiro[4.5]decane, 8-[(3,5-dinitrophenyl)sulfonyl]-2-methyl-, (2S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 553.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.2±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 87.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.35
ACD/KOC (pH 5.5): 567.14
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.35
ACD/KOC (pH 7.4): 567.14
Polar Surface Area: 156 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 245.8±5.0 cm3

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