ChemSpider 2D Image | (6-(Hydroxymethyl)-1,4-dioxan-2-yl)-5-bromocytosine | C9H12BrN3O4

(6-(Hydroxymethyl)-1,4-dioxan-2-yl)-5-bromocytosine

  • Molecular FormulaC9H12BrN3O4
  • Average mass306.113 Da
  • Monoisotopic mass305.001099 Da
  • ChemSpider ID20017135

More details:

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

(6-(Hydroxymethyl)-1,4-dioxan-2-yl)-5-bromocytosine
2(1H)-Pyrimidinone, 4-amino-5-bromo-1-(6-(hydroxymethyl)-1,4-dioxan-2-yl)-, (2R-cis)-
2(1H)-Pyrimidinone, 4-amino-5-bromo-1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]- [ACD/Index Name]
2(1H)-Pyrimidinone, 4-amino-5-bromo-1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-, (2R-cis)-
4-Amino-5-brom-1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-5-bromo-1-[6-(hydroxymethyl)-1,4-dioxan-2-yl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-5-bromo-1-[6-(hydroxyméthyl)-1,4-dioxan-2-yl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
132062-66-9 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 460.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.1±6.0 kJ/mol
Flash Point: 232.1±31.5 °C
Index of Refraction: 1.712
Molar Refractivity: 59.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.21
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.22
Polar Surface Area: 97 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 72.7±7.0 dyne/cm
Molar Volume: 152.9±7.0 cm3

Click to predict properties on the Chemicalize site


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