ChemSpider 2D Image | 1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea | C17H19N5O7

1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea

  • Molecular FormulaC17H19N5O7
  • Average mass405.362 Da
  • Monoisotopic mass405.128448 Da
  • ChemSpider ID28668387

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2,5-Dideoxy-5-{[(4-nitrophenyl)carbamoyl]amino}-α-D-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(2,5-Didesoxy-5-{[(4-nitrophenyl)carbamoyl]amino}-α-D-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(2,5-Didésoxy-5-{[(4-nitrophényl)carbamoyl]amino}-α-D-érythro-pentofuranosyl)-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea
2,4(1H,3H)-Pyrimidinedione, 1-[2,5-dideoxy-5-[[[(4-nitrophenyl)amino]carbonyl]amino]-α-D-erythro-pentofuranosyl]-5-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.656
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.20
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.99
Polar Surface Area: 166 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 74.0±3.0 dyne/cm
Molar Volume: 267.4±3.0 cm3

Click to predict properties on the Chemicalize site


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