ChemSpider 2D Image | (3R,4R,5R)-2-Amino-3,4-dihydroxy-5-{[8-(hydroxymethyl)-3-oxo-3H-phenoxazin-2-yl]amino}-6-oxo-1-cyclohexene-1-carboxamide | C20H18N4O7

(3R,4R,5R)-2-Amino-3,4-dihydroxy-5-{[8-(hydroxymethyl)-3-oxo-3H-phenoxazin-2-yl]amino}-6-oxo-1-cyclohexene-1-carboxamide

  • Molecular FormulaC20H18N4O7
  • Average mass426.379 Da
  • Monoisotopic mass426.117554 Da
  • ChemSpider ID25050445

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4R,5R)-2-Amino-3,4-dihydroxy-5-{[8-(hydroxymethyl)-3-oxo-3H-phenoxazin-2-yl]amino}-6-oxo-1-cyclohexen-1-carboxamid [German] [ACD/IUPAC Name]
(3R,4R,5R)-2-Amino-3,4-dihydroxy-5-{[8-(hydroxymethyl)-3-oxo-3H-phenoxazin-2-yl]amino}-6-oxo-1-cyclohexene-1-carboxamide [ACD/IUPAC Name]
(3R,4R,5R)-2-Amino-3,4-dihydroxy-5-{[8-(hydroxyméthyl)-3-oxo-3H-phénoxazin-2-yl]amino}-6-oxo-1-cyclohexène-1-carboxamide [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxamide, 2-amino-3,4-dihydroxy-5-[[8-(hydroxymethyl)-3-oxo-3H-phenoxazin-2-yl]amino]-6-oxo-, (3R,4R,5R)- [ACD/Index Name]
pitucamycin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 802.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 438.9±34.3 °C
Index of Refraction: 1.813
Molar Refractivity: 101.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.84
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.90
Polar Surface Area: 198 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 87.8±7.0 dyne/cm
Molar Volume: 233.4±7.0 cm3

Click to predict properties on the Chemicalize site


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