Found 7 results

Search term: MF = 'C_{31}H_{53}N_{7}O_{8}'
ChemSpider 2D Image | (5R)-4-Deoxy-5-[(1S)-1,2-dihydroxyethyl]-4-({N-[(hexadecyloxy)carbonyl]glycyl}amino)-N-7H-purin-6-yl-beta-L-lyxopyranosylamine | C31H53N7O8

(5R)-4-Deoxy-5-[(1S)-1,2-dihydroxyethyl]-4-({N-[(hexadecyloxy)carbonyl]glycyl}amino)-N-7H-purin-6-yl-β-L-lyxopyranosylamine

  • Molecular FormulaC31H53N7O8
  • Average mass651.795 Da
  • Monoisotopic mass651.395569 Da
  • ChemSpider ID8874785

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5R)-4-Deoxy-5-[(1S)-1,2-dihydroxyethyl]-4-({N-[(hexadecyloxy)carbonyl]glycyl}amino)-N-7H-purin-6-yl-β-L-lyxopyranosylamine [ACD/IUPAC Name]
(5R)-4-Desoxy-5-[(1S)-1,2-dihydroxyethyl]-4-({N-[(hexadecyloxy)carbonyl]glycyl}amino)-N-7H-purin-6-yl-β-L-lyxopyranosylamin [German] [ACD/IUPAC Name]
(5R)-4-Désoxy-5-[(1S)-1,2-dihydroxyéthyl]-4-({N-[(hexadécyloxy)carbonyl]glycyl}amino)-N-7H-purin-6-yl-β-L-lyxopyranosylamine [French] [ACD/IUPAC Name]
L-glycero-β-L-manno-Heptopyranosylamine, 4-deoxy-4-[[2-[[(hexadecyloxy)carbonyl]amino]acetyl]amino]-N-7H-purin-6-yl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 960.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.5±3.0 kJ/mol
Flash Point: 534.5±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 170.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3863.67
ACD/KOC (pH 5.5): 12841.02
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3863.09
ACD/KOC (pH 7.4): 12839.11
Polar Surface Area: 224 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 506.0±5.0 cm3

Click to predict properties on the Chemicalize site


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