ChemSpider 2D Image | (2S,3R,4S,6R)-3-acetoxy-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-5-benzyloxycarbonyloxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-N,N,6-trimethyl-tetrahydropyran-4-amine oxide | C47H75NO17

(2S,3R,4S,6R)-3-acetoxy-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-5-benzyloxycarbonyloxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-N,N,6-trimethyl-tetrahydropyran-4-amine oxide

  • Molecular FormulaC47H75NO17
  • Average mass926.095 Da
  • Monoisotopic mass925.503479 Da
  • ChemSpider ID8549048

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-{[(2R,4R,5S,6S)-5-{[(Benzyloxy)carbonyl]oxy}-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexam ethyl-2,10-dioxooxacyclotetradecan-6-yl]oxy}-4-(dimethylnitroryl)-6-methyltetrahydro-2H-pyran-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2S,3R,4S,6R)-2-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-{[(2R,4R,5S,6S)-5-{[(benzyloxy)carbonyl]oxy}-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-7,12,13-trihydroxy-3,5,7,9, 11,13-hexaméthyl-2,10-dioxooxacyclotétradécan-6-yl]oxy}-4-(diméthylnitroryl)-6-méthyltétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.24
ACD/KOC (pH 5.5): 1253.36
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 155.83
ACD/KOC (pH 7.4): 1291.37
Polar Surface Area: 229 Å2
Polarizability:
Surface Tension:
Molar Volume:

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