ChemSpider 2D Image | (1S,3S,7S,10S,11S,14R,23S,24R,26S,31R,32R,33S,34S,35S)-11,34-Dihydroxy-11,23,24,35-tetramethyl-16-methylene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.1~1,33~.1~3,7~.1~7,10~.1~10,14~.0~20,26~.0~26
,31~]hentetraconta-20,29-diene-29-carboxylic acid | C41H61NO9

(1S,3S,7S,10S,11S,14R,23S,24R,26S,31R,32R,33S,34S,35S)-11,34-Dihydroxy-11,23,24,35-tetramethyl-16-methylene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026 ,31]hentetraconta-20,29-diene-29-carboxylic acid

  • Molecular FormulaC41H61NO9
  • Average mass711.924 Da
  • Monoisotopic mass711.434631 Da
  • ChemSpider ID8756047
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(1S,3S,7S,10S,11S,14R,23S,24R,26S,31R,32R,33S,34S,35S)-11,34-Dihydroxy-11,23,24,35-tetramethyl-16-methylen-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026, 31]hentetraconta-20,29-dien-29-carbonsäure [German] [ACD/IUPAC Name]
(1S,3S,7S,10S,11S,14R,23S,24R,26S,31R,32R,33S,34S,35S)-11,34-Dihydroxy-11,23,24,35-tetramethyl-16-methylene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026 ,31]hentetraconta-20,29-diene-29-carboxylic acid [ACD/IUPAC Name]
Acide (1S,3S,7S,10S,11S,14R,23S,24R,26S,31R,32R,33S,34S,35S)-11,34-dihydroxy-11,23,24,35-tétraméthyl-16-méthylène-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26 .026,31]héntétraconta-20,29-diène-29-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 186.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 1158.46
ACD/KOC (pH 5.5): 1132.79
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 828.63
ACD/KOC (pH 7.4): 810.27
Polar Surface Area: 136 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 511.6±7.0 cm3

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