Found 1 result

Search term: 78437213 (Found by CSID)
ChemSpider 2D Image | (2R,4'S,5S,6R,8'R,10'Z,13'R,14'Z)-6-Ethyl-21'-hydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[1(24),10,14,16,20,22]h exaen]-2'-one | C32H42O6

(2R,4'S,5S,6R,8'R,10'Z,13'R,14'Z)-6-Ethyl-21'-hydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentacosa[1(24),10,14,16,20,22]h exaen]-2'-one

  • Molecular FormulaC32H42O6
  • Average mass522.672 Da
  • Monoisotopic mass522.298157 Da
  • ChemSpider ID78437213

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,4'S,5S,6R,8'R,10'Z,13'R,14'Z)-6-Ethyl-21'-hydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentacosa[1(24),10,14,16,20,22]h exaen]-2'-one [ACD/IUPAC Name]
Milbemycin α31

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

Density: 1.2±0.1 g/cm3
Boiling Point: 717.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 230.3±26.4 °C
Index of Refraction: 1.586
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.74
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 220558.59
ACD/KOC (pH 5.5): 232277.09
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 170480.48
ACD/KOC (pH 7.4): 179538.28
Polar Surface Area: 74 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 437.5±5.0 cm3

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