ChemSpider 2D Image | (2Z)-N-[(1S)-2-Hydroxy-1-{(4R)-4-[(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]-4,5-dihydro-1,3-thiazol-2-yl}ethyl]-2-(nitrosomethylene)-2,3-dihydro-1,3-thiazole-4-carboxamide | C16H17N5O6S2

(2Z)-N-[(1S)-2-Hydroxy-1-{(4R)-4-[(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]-4,5-dihydro-1,3-thiazol-2-yl}ethyl]-2-(nitrosomethylene)-2,3-dihydro-1,3-thiazole-4-carboxamide

  • Molecular FormulaC16H17N5O6S2
  • Average mass439.466 Da
  • Monoisotopic mass439.062012 Da
  • ChemSpider ID59701356

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2Z)-N-[(1S)-2-Hydroxy-1-{(4R)-4-[(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]-4,5-dihydro-1,3-thiazol-2-yl}ethyl]-2-(nitrosomethylen)-2,3-dihydro-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
(2Z)-N-[(1S)-2-Hydroxy-1-{(4R)-4-[(4-methoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]-4,5-dihydro-1,3-thiazol-2-yl}ethyl]-2-(nitrosomethylene)-2,3-dihydro-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
(2Z)-N-[(1S)-2-Hydroxy-1-{(4R)-4-[(4-méthoxy-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]-4,5-dihydro-1,3-thiazol-2-yl}éthyl]-2-(nitrosométhylène)-2,3-dihydro-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, N-[(1S)-1-[(4R)-4-[(2,5-dihydro-4-methoxy-2-oxo-1H-pyrrol-1-yl)carbonyl]-4,5-dihydro-2-thiazolyl]-2-hydroxyethyl]-2,3-dihydro-2-(nitrosomethylene)-, (2Z)- [ACD/Index Name]
Althiomycin

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.769
Molar Refractivity: 105.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.15
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.15
Polar Surface Area: 200 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 78.6±7.0 dyne/cm
Molar Volume: 255.2±7.0 cm3

Click to predict properties on the Chemicalize site


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