ChemSpider 2D Image | (1'R,2R,4'S,5S,6R,8'R,10'Z,13'R,14'Z,16'Z,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-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[10,14,16,22]tetraen]-2'-one | C33H48O7

(1'R,2R,4'S,5S,6R,8'R,10'Z,13'R,14'Z,16'Z,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-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[10,14,16,22]tetraen]-2'-one

  • Molecular FormulaC33H48O7
  • Average mass556.730 Da
  • Monoisotopic mass556.340027 Da
  • ChemSpider ID32697428

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1'R,2R,4'S,5S,6R,8'R,10'Z,13'R,14'Z,16'Z,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-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[10,14,16,22]tetraen]-2'-one [ACD/IUPAC Name]
5-O-demethyl-28-deoxy-6R,28-epoxy-25R-(1-methylethyl)-milbemycin B
milbemycin D

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

UNII:04S0E2XJQI [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 231.9±26.4 °C
Index of Refraction: 1.570
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22161.19
ACD/KOC (pH 5.5): 44891.19
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22160.92
ACD/KOC (pH 7.4): 44890.65
Polar Surface Area: 94 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 468.0±5.0 cm3

Click to predict properties on the Chemicalize site


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