ChemSpider 2D Image | 2(1H)-Pyrimidinone, 1-[2,6-dideoxy-4-O-[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]-beta-L-arabino-hexopyranosyl]-4-[[4-(methylamino)benzoyl]amino]- | C26H37N5O8

2(1H)-Pyrimidinone, 1-[2,6-dideoxy-4-O-[4,6-dideoxy-4-(dimethylamino)-α-D-glucopyranosyl]-β-L-arabino-hexopyranosyl]-4-[[4-(methylamino)benzoyl]amino]-

  • Molecular FormulaC26H37N5O8
  • Average mass547.601 Da
  • Monoisotopic mass547.264221 Da
  • ChemSpider ID165790

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 1-[2,6-dideoxy-4-O-[4,6-dideoxy-4-(dimethylamino)-α-D-glucopyranosyl]-β-L-arabino-hexopyranosyl]-4-[[4-(methylamino)benzoyl]amino]- [ACD/Index Name]
157878-03-0 [RN]
Cytosaminomycin B

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: 1.653
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.45
Polar Surface Area: 165 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 373.6±7.0 cm3

Click to predict properties on the Chemicalize site


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