ChemSpider 2D Image | 7-(D-Glucopyranosyl)-N-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-7H-purin-6-amine | C16H23N5O6

7-(D-Glucopyranosyl)-N-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-7H-purin-6-amine

  • Molecular FormulaC16H23N5O6
  • Average mass381.384 Da
  • Monoisotopic mass381.164825 Da
  • ChemSpider ID35013427

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

7-(D-Glucopyranosyl)-N-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-7H-purin-6-amin [German] [ACD/IUPAC Name]
7-(D-Glucopyranosyl)-N-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-7H-purin-6-amine [ACD/IUPAC Name]
7-(D-Glucopyranosyl)-N-[(2E)-4-hydroxy-3-méthyl-2-butén-1-yl]-7H-purin-6-amine [French] [ACD/IUPAC Name]
7H-Purin-6-amine, 7-D-glucopyranosyl-N-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]- [ACD/Index Name]
(3R,4S,5S,6R)-2-(6-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-7H-purin-7-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
(3R,4S,5S,6R)-2-(6-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-7-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
(E)-7-Glucosylzeatin
38165-56-9 [RN]
E-Zeatin-7-N-glucoside
Raphanatin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.7±0.1 g/cm3
Boiling Point: 753.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 409.7±35.7 °C
Index of Refraction: 1.730
Molar Refractivity: 90.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.61
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.86
Polar Surface Area: 166 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 226.2±7.0 cm3

Click to predict properties on the Chemicalize site


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