ChemSpider 2D Image | MB-07133 | C17H21N4O8P

MB-07133

  • Molecular FormulaC17H21N4O8P
  • Average mass440.344 Da
  • Monoisotopic mass440.109711 Da
  • ChemSpider ID32699216

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[(2S,4S)-2-oxido-4-(4-pyridinyl)-1,3,2-dioxaphosphorinan-2-yl]-β-D-arabinofuranosyl]- [ACD/Index Name]
4-Amino-1-{5-O-[(2S,4S)-2-oxido-4-(4-pyridinyl)-1,3,2-dioxaphosphinan-2-yl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[(2S,4S)-2-oxido-4-(4-pyridinyl)-1,3,2-dioxaphosphinan-2-yl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[(2S,4S)-2-oxydo-4-(4-pyridinyl)-1,3,2-dioxaphosphinan-2-yl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
685111-92-6 [RN]
BNL5ERR07R
MB-07133
UNII:BNL5ERR07R
UNII-BNL5ERR07R

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

Density: 1.8±0.1 g/cm3
Boiling Point: 685.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 368.3±34.3 °C
Index of Refraction: 1.739
Molar Refractivity: 98.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.58
ACD/LogD (pH 5.5): -1.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.32
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.71
Polar Surface Area: 176 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 85.7±7.0 dyne/cm
Molar Volume: 244.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement