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

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

  • Molecular FormulaC21H29N5O11
  • Average mass527.482 Da
  • Monoisotopic mass527.186340 Da
  • ChemSpider ID28283572

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

D-Glucopyranosylamine, N-(5-cyano-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-4-O-(4-O-methyl-D-galactopyranosyl)- [ACD/Index Name]
N-(5-Cyan-4-methoxy-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-4-O-(4-O-methyl-D-galactopyranosyl)-D-glucopyranosylamin [German] [ACD/IUPAC Name]
N-(5-Cyano-4-methoxy-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-4-O-(4-O-methyl-D-galactopyranosyl)-D-glucopyranosylamine [ACD/IUPAC Name]
N-(5-Cyano-4-méthoxy-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-4-O-(4-O-méthyl-D-galactopyranosyl)-D-glucopyranosylamine [French] [ACD/IUPAC Name]
Dapiramicin B

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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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