ChemSpider 2D Image | N-(5-Cyano-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-6-deoxy-4-O-(4-O-methyl-beta-D-glucopyranosyl)-alpha-D-glucopyranosylamine | C21H29N5O10

N-(5-Cyano-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-6-deoxy-4-O-(4-O-methyl-β-D-glucopyranosyl)-α-D-glucopyranosylamine

  • Molecular FormulaC21H29N5O10
  • Average mass511.483 Da
  • Monoisotopic mass511.191437 Da
  • ChemSpider ID4590085

  • 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-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-6-desoxy-4-O-(4-O-methyl-β-D-glucopyranosyl)-α-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-(5-Cyano-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-6-deoxy-4-O-(4-O-methyl-β-D-glucopyranosyl)-α-D-glucopyranosylamine [ACD/IUPAC Name]
N-(5-Cyano-4-méthoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-6-désoxy-4-O-(4-O-méthyl-β-D-glucopyranosyl)-α-D-glucopyranosylamine [French] [ACD/IUPAC Name]
α-D-Glucopyranosylamine, N-(5-cyano-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-6-deoxy-4-O-(4-O-methyl-β-D-glucopyranosyl)- [ACD/Index Name]
1H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 2-((6-deoxy-4-O-(4-O-methyl-β-D-glucopyranosyl)-α-D-glucopyranosyl)amino)-4-methoxy-
67298-15-1 [RN]
Antibiotic SF 1917
Dapiramicin
Dapiramicin A

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

BRN 4731179 [DBID]
SF 1917 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 861.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 475.0±37.1 °C
Index of Refraction: 1.667
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.47
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.72
Polar Surface Area: 225 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 97.3±5.0 dyne/cm
Molar Volume: 319.5±5.0 cm3

Click to predict properties on the Chemicalize site


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