ChemSpider 2D Image | (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-{Bis[(~13~C,~2~H_3_)methyl]amino}-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-({(2R,4R,5S,6S)-5-hydroxy-6-meth
yl-4-(~13~C,~2~H_3_)methyl-4-[(~13~C,~2~H_3_)methyloxy]tetrahydro-2H-pyran-2-yl}oxy)-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione | C3313C4H55D12NO13

(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-{Bis[(13C,2H3)methyl]amino}-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-({(2R,4R,5S,6S)-5-hydroxy-6-meth yl-4-(13C,2H3)methyl-4-[(13C,2H3)methyloxy]tetrahydro-2H-pyran-2-yl}oxy)-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione

  • Molecular FormulaC3313C4H55D12NO13
  • Average mass749.971 Da
  • Monoisotopic mass749.549988 Da
  • ChemSpider ID8163206
  • defined stereocentres - 18 of 18 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-{Bis[(13C,2H3)methyl]amino}-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-({(2R,4R,5S,6S)-5-hydroxy-6-meth 
yl-4-(13C,2H3)methyl-4-[(13C,2H3)methyloxy]tetrahydro-2H-pyran-2-yl}oxy)-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2,10-dion [German] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-{Bis[(13C,2H3)methyl]amino}-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-({(2R,4R,5S,6S)-5-hydroxy-6-meth 
yl-4-(13C,2H3)methyl-4-[(13C,2H3)methyloxy]tetrahydro-2H-pyran-2-yl}oxy)-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione [ACD/IUPAC Name]
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-{Bis[(13C,2H3)méthyl]amino}-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-14-éthyl-7,12,13-trihydroxy-4-({(2R,4R,5S,6S)-5-hydroxy-6-méth 
yl-4-(13C,2H3)méthyl-4-[(13C,2H3)méthyloxy]tétrahydro-2H-pyran-2-yl}oxy)-3,5,7,9,11,13-hexaméthyloxacyclotétradécane-2,10-dione [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.535
Molar Refractivity: 189.2±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 607.2±5.0 cm3

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