ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4S,5R,6R)-2-[(1S,2S)-2-chloro-1-({[(2S,4S)-4-ethyl-2-piperidinyl]carbonyl}amino)propyl]-3,5-dihydroxy-6-(methyl sulfanyl)tetrahydro-2H-pyran-4-yl hydrogen phosphate | C27H43ClN7O11PS

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4S,5R,6R)-2-[(1S,2S)-2-chloro-1-({[(2S,4S)-4-ethyl-2-piperidinyl]carbonyl}amino)propyl]-3,5-dihydroxy-6-(methyl sulfanyl)tetrahydro-2H-pyran-4-yl hydrogen phosphate

  • Molecular FormulaC27H43ClN7O11PS
  • Average mass740.162 Da
  • Monoisotopic mass739.216736 Da
  • ChemSpider ID4590427

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4S,5R,6R)-2-[(1S,2S)-2-chloro-1-({[(2S,4S)-4-ethyl-2-piperidinyl]carbonyl}amino)propyl]-3,5-dihydroxy-6-(methyl sulfanyl)tetrahydro-2H-pyran-4-yl hydrogen phosphate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3S,4S,5R,6R)-2-[(1S,2S)-2-chlor-1-({[(2S,4S)-4-ethyl-2-piperidinyl]carbonyl}amino)propyl]-3,5-dihydroxy-6-(methyls ulfanyl)tetrahydro-2H-pyran-4-ylhydrogenphosphat [German] [ACD/IUPAC Name]
Hydrogénophosphate de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3S,4S,5R,6R)-2-[(1S,2S)-2-chloro-1-({[(2S,4S)-4-éthyl-2-pipéridinyl]carbonyl}amino)pr opyl]-3,5-dihydroxy-6-(méthylsulfanyl)tétrahydro-2H-pyran-4-yle [French] [ACD/IUPAC Name]
5'-Adenylic acid, 3-ester with (2S-trans)-methyl 7-chloro-6,7,8-trideoxy-6-(((4-ethyl-2-piperidinyl)carbonyl)amino)-1-thio-L-threo-α-D-galacto-octapyranoside
85643-04-5 [RN]
Pirlimycin adenylate
U-63,440

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

U 63440 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.759
Molar Refractivity: 165.6±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -2.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 301 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 80.5±7.0 dyne/cm
Molar Volume: 403.0±7.0 cm3

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