Found 1 result

Search term: 4445257 (Found by CSID)
ChemSpider 2D Image | (1S,4R,4'S,5'S,6'R,9S,10E,12E,14S,15S,16E,19R,21R)-4',9,15-Trihydroxy-6'-isopropyl-5',6,10,14,16-pentamethyl-3',4',5',6'-tetrahydro-3H,7H-spiro[2,20-dioxatricyclo[17.3.1.0~4,9~]tricosa-5,10,12,16-tetr aene-21,2'-pyran]-3,7-dione | C33H48O8

(1S,4R,4'S,5'S,6'R,9S,10E,12E,14S,15S,16E,19R,21R)-4',9,15-Trihydroxy-6'-isopropyl-5',6,10,14,16-pentamethyl-3',4',5',6'-tetrahydro-3H,7H-spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetr aene-21,2'-pyran]-3,7-dione

  • Molecular FormulaC33H48O8
  • Average mass572.729 Da
  • Monoisotopic mass572.334900 Da
  • ChemSpider ID4445257

  • 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

(1S,4R,4'S,5'S,6'R,9S,10E,12E,14S,15S,16E,19R,21R)-4',9,15-Trihydroxy-6'-isopropyl-5',6,10,14,16-pentamethyl-3',4',5',6'-tetrahydro-3H,7H-spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetr aene-21,2'-pyran]-3,7-dione [ACD/IUPAC Name]
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''2b'' aglycone

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

C11953 [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: 771.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.0±6.0 kJ/mol
Flash Point: 242.6±26.4 °C
Index of Refraction: 1.569
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1354.56
ACD/KOC (pH 5.5): 6072.10
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1354.52
ACD/KOC (pH 7.4): 6071.96
Polar Surface Area: 123 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 474.9±5.0 cm3

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