ChemSpider 2D Image | 5-{[3-(2-Amino-4-hydroxy-6-imino-1,6-dihydro-5-pyrimidinyl)propyl]amino}-N-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-ylidene]-1,3-thiazole-2-carboxamide | C16H21N7O6S

5-{[3-(2-Amino-4-hydroxy-6-imino-1,6-dihydro-5-pyrimidinyl)propyl]amino}-N-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-ylidene]-1,3-thiazole-2-carboxamide

  • Molecular FormulaC16H21N7O6S
  • Average mass439.446 Da
  • Monoisotopic mass439.127411 Da
  • ChemSpider ID95693976

More details:

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

2-Thiazolecarboxamide, 5-[[3-(2-amino-1,6-dihydro-4-hydroxy-6-imino-5-pyrimidinyl)propyl]amino]-N-[(1Z)-1-(dihydroxymethyl)-4,4-dihydroxy-3-buten-1-ylidene]- [ACD/Index Name]
5-{[3-(2-Amino-4-hydroxy-6-imino-1,6-dihydro-5-pyrimidinyl)propyl]amino}-N-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-yliden]-1,3-thiazol-2-carboxamid [German] [ACD/IUPAC Name]
5-{[3-(2-Amino-4-hydroxy-6-imino-1,6-dihydro-5-pyrimidinyl)propyl]amino}-N-[(2Z)-1,1,5,5-tetrahydroxy-4-penten-2-ylidene]-1,3-thiazole-2-carboxamide [ACD/IUPAC Name]
5-{[3-(2-Amino-4-hydroxy-6-imino-1,6-dihydro-5-pyrimidinyl)propyl]amino}-N-[(2Z)-1,1,5,5-tétrahydroxy-4-pentén-2-ylidène]-1,3-thiazole-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 774.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.5±35.7 °C
Index of Refraction: 1.770
Molar Refractivity: 103.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -4.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 258 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 87.4±7.0 dyne/cm
Molar Volume: 248.3±7.0 cm3

Click to predict properties on the Chemicalize site


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