ChemSpider 2D Image | N-(5-Cyano-4-methoxy-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-4-O-(4-O-methyl-beta-D-glucopyranosyl)-beta-D-glucopyranosylamine | C21H29N5O11

N-(5-Cyano-4-methoxy-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-4-O-(4-O-methyl-β-D-glucopyranosyl)-β-D-glucopyranosylamine

  • Molecular FormulaC21H29N5O11
  • Average mass527.482 Da
  • Monoisotopic mass527.186340 Da
  • ChemSpider ID4589560
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

N-(5-Cyan-4-methoxy-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-4-O-(4-O-methyl-β-D-glucopyranosyl)-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-(5-Cyano-4-methoxy-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-4-O-(4-O-methyl-β-D-glucopyranosyl)-β-D-glucopyranosylamine [ACD/IUPAC Name]
N-(5-Cyano-4-méthoxy-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-4-O-(4-O-méthyl-β-D-glucopyranosyl)-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, N-(5-cyano-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-4-O-(4-O-methyl-β-D-glucopyranosyl)- [ACD/Index Name]
1H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-methoxy-2-((4-O-(4-O-methyl-β-D-glucopyranosyl)-β-D-glucopyranosyl)amino)-
1H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE,4-METHOXY-2-((4-O-(4-O-MET HYL-SS-D-GLUCOPYRANOSYL)-SS-D-GLUCOPYRANOSYL)AMINO)-
90044-18-1 [RN]
Dapiramicin B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 914.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.2±3.0 kJ/mol
Flash Point: 506.6±37.1 °C
Index of Refraction: 1.686
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.87
Polar Surface Area: 245 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 107.8±5.0 dyne/cm
Molar Volume: 316.7±5.0 cm3

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