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Search term: QGNVFXULZBHREN (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-[({(2S,3R)-3-[(3-Cyclohexyl-L-alanyl)amino]-4-hydroxy-2-butanyl}oxy)carbonyl]-2'-deoxy-2'-methylenecytidine | C24H37N5O8

N-[({(2S,3R)-3-[(3-Cyclohexyl-L-alanyl)amino]-4-hydroxy-2-butanyl}oxy)carbonyl]-2'-deoxy-2'-methylenecytidine

  • Molecular FormulaC24H37N5O8
  • Average mass523.579 Da
  • Monoisotopic mass523.264221 Da
  • ChemSpider ID23293465
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

Cytidine, N-[[(1S,2R)-2-[[(2S)-2-amino-3-cyclohexyl-1-oxopropyl]amino]-3-hydroxy-1-methylpropoxy]carbonyl]-2'-deoxy-2'-methylene- [ACD/Index Name]
N-[({(2S,3R)-3-[(3-Cyclohexyl-L-alanyl)amino]-4-hydroxy-2-butanyl}oxy)carbonyl]-2'-deoxy-2'-methylenecytidine [ACD/IUPAC Name]
N-[({(2S,3R)-3-[(3-Cyclohexyl-L-alanyl)amino]-4-hydroxy-2-butanyl}oxy)carbonyl]-2'-desoxy-2'-methylencytidin [German] [ACD/IUPAC Name]
N-[({(2S,3R)-3-[(3-Cyclohexyl-L-alanyl)amino]-4-hydroxy-2-butanyl}oxy)carbonyl]-2'-désoxy-2'-méthylènecytidine [French] [ACD/IUPAC Name]
N-[({(2S,3R)-3-[(3-cyclohexyl-L-alanyl)amino]-4-hydroxybutan-2-yl}oxy)carbonyl]-2'-deoxy-2'-methylidenecytidine
(2S,3R)-3-((S)-2-amino-3-cyclohexylpropanamido)-4-hydroxybutan-2-yl 1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylene-tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-ylcarbamate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL393512/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 128.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -3.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 349.5±7.0 cm3

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