ChemSpider 2D Image | 2(1H)-Pyrimidinone, 4-amino-1-(4-amino-6-O-(3-amino-3-deoxy-beta-D-glucopyranosyl)-4-deoxy-D-glycero-D-galacto-beta-D-gluco-undecopyranosyl)- | C21H37N5O14

2(1H)-Pyrimidinone, 4-amino-1-(4-amino-6-O-(3-amino-3-deoxy-β-D-glucopyranosyl)-4-deoxy-D-glycero-D-galacto-β-D-gluco-undecopyranosyl)-

  • Molecular FormulaC21H37N5O14
  • Average mass583.544 Da
  • Monoisotopic mass583.233704 Da
  • ChemSpider ID10293387

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-(4-amino-6-O-(3-amino-3-deoxy-β-D-glucopyranosyl)-4-deoxy-D-glycero-D-galacto-β-D-gluco-undecopyranosyl)-
2(1H)-Pyrimidinone, 4-amino-1-[4-amino-6-O-(3-amino-3-deoxy-β-D-glucopyranosyl)-4-deoxy-D-glycero-D-galacto-β-D-gluco-undecopyranosyl]-
2(1H)-Pyrimidinone, 4-amino-1-[4-amino-6-O-(3-amino-3-deoxy-β-D-glucopyranosyl)-4-deoxy-D-glycero-D-galacto-β-D-gluco-undecopyranosyl]- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1030.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.5±6.0 kJ/mol
Flash Point: 576.8±37.1 °C
Index of Refraction: 1.785
Molar Refractivity: 118.0±0.5 cm3
#H bond acceptors: 19
#H bond donors: 16
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.72
ACD/LogD (pH 5.5): -9.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 341 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 105.2±7.0 dyne/cm
Molar Volume: 279.8±7.0 cm3

Click to predict properties on the Chemicalize site


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