ChemSpider 2D Image | Heptyl N-[5-(2-deoxy-β-D-erythro-pentofuranosyl)-3,4,5,6-tetrahydro-4-oxo-1,3,5-triazin-2-yl]carbamate | C16H28N4O6

Heptyl N-[5-(2-deoxy-β-D-erythro-pentofuranosyl)-3,4,5,6-tetrahydro-4-oxo-1,3,5-triazin-2-yl]carbamate

  • Molecular FormulaC16H28N4O6
  • Average mass372.417 Da
  • Monoisotopic mass372.200897 Da
  • ChemSpider ID32702166

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2-Deoxy-β-D-erythro-pentofuranosyl)-4-{[(heptyloxy)carbonyl]amino}-5,6-dihydro-1,3,5-triazin-2(1H)-one [ACD/IUPAC Name]
1-(2-Desoxy-β-D-erythro-pentofuranosyl)-4-{[(heptyloxy)carbonyl]amino}-5,6-dihydro-1,3,5-triazin-2(1H)-on [German] [ACD/IUPAC Name]
1-(2-Désoxy-β-D-érythro-pentofuranosyl)-4-{[(heptyloxy)carbonyl]amino}-5,6-dihydro-1,3,5-triazin-2(1H)-one [French] [ACD/IUPAC Name]
1,3,5-Triazin-2(1H)-one, 1-(2-deoxy-β-D-erythro-pentofuranosyl)-4-[[(heptyloxy)carbonyl]amino]-5,6-dihydro- [ACD/Index Name]
815588-85-3 [RN]
Heptyl N-[5-(2-deoxy-β-D-erythro-pentofuranosyl)-3,4,5,6-tetrahydro-4-oxo-1,3,5-triazin-2-yl]carbamate

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

3PEN569TJP [DBID]
KP-1461 [DBID]
UNII:3PEN569TJP [DBID]
UNII-3PEN569TJP [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 90.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.36
ACD/KOC (pH 5.5): 82.61
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 42.24
Polar Surface Area: 133 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 259.3±7.0 cm3

Click to predict properties on the Chemicalize site


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