ChemSpider 2D Image | (2E)-2-(~2~H_3_)Methyl-4-(7H-purin-6-ylamino)(1,1-~2~H_2_)-2-buten-1-yl L-mannopyranoside | C16H18D5N5O6

(2E)-2-(2H3)Methyl-4-(7H-purin-6-ylamino)(1,1-2H2)-2-buten-1-yl L-mannopyranoside

  • Molecular FormulaC16H18D5N5O6
  • Average mass386.414 Da
  • Monoisotopic mass386.196228 Da
  • ChemSpider ID107445308

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-2-(2H3)Methyl-4-(7H-purin-6-ylamino)(1,1-2H2)-2-buten-1-yl L-mannopyranoside [ACD/IUPAC Name]
(2E)-2-(2H3)Methyl-4-(7H-purin-6-ylamino)(1,1-2H2)-2-buten-1-yl-L-mannopyranosid [German] [ACD/IUPAC Name]
L-Mannopyranoside de (2E)-2-(2H3)méthyl-4-(7H-purin-6-ylamino)(1,1-2H2)-2-butén-1-yle [French] [ACD/IUPAC Name]
L-Mannopyranoside, (2E)-2-(methyl-d3)-4-(7H-purin-6-ylamino)-2-buten-1-yl-1,1-d2 [ACD/Index Name]
72963-23-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 790.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 432.0±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 93.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.09
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.16
Polar Surface Area: 166 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 95.6±5.0 dyne/cm
Molar Volume: 249.0±5.0 cm3

Click to predict properties on the Chemicalize site


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