ChemSpider 2D Image | (1S,6R)-6-Hydroxy-5-methylene-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione | C12H18N2O7

(1S,6R)-6-Hydroxy-5-methylene-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione

  • Molecular FormulaC12H18N2O7
  • Average mass302.280 Da
  • Monoisotopic mass302.111389 Da
  • ChemSpider ID25056572

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,6R)-6-Hydroxy-5-methylen-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decan-8,10-dion [German] [ACD/IUPAC Name]
(1S,6R)-6-Hydroxy-5-methylene-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione [ACD/IUPAC Name]
(1S,6R)-6-Hydroxy-5-méthylène-1-[(1S,2S)-1,2,3-trihydroxy-2-méthylpropyl]-2-oxa-7,9-diazabicyclo[4.2.2]décane-8,10-dione [French] [ACD/IUPAC Name]
2-Oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 6-hydroxy-5-methylene-1-[(1S,2S)-1,2,3-trihydroxy-2-methylpropyl]-, (1S,6R)- [ACD/Index Name]
253-795-3 [EINECS]
38129-37-2 [RN]
bicozamycin [INN]
UNII-J03U9E2P82

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

Density: 1.6±0.1 g/cm3
Boiling Point: 786.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.4±6.0 kJ/mol
Flash Point: 429.5±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 68.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.86
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.82
Polar Surface Area: 148 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 191.8±5.0 cm3

Click to predict properties on the Chemicalize site


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