ChemSpider 2D Image | (7R,15R,23R,27R)-2,4,18,20-Tetrahydroxy-11-(hydroxymethyl)-7,15,23,27-tetramethyl-7,8,11,12,15,16,23,24,27,28-decahydro-5H,9H,13H,21H,25H-dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosine-5,9,13,21,25 -pentone | C32H38O15

(7R,15R,23R,27R)-2,4,18,20-Tetrahydroxy-11-(hydroxymethyl)-7,15,23,27-tetramethyl-7,8,11,12,15,16,23,24,27,28-decahydro-5H,9H,13H,21H,25H-dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosine-5,9,13,21,25 -pentone

  • Molecular FormulaC32H38O15
  • Average mass662.635 Da
  • Monoisotopic mass662.221069 Da
  • ChemSpider ID114390425

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(7R,15R,23R,27R)-2,4,18,20-Tetrahydroxy-11-(hydroxymethyl)-7,15,23,27-tetramethyl-7,8,11,12,15,16,23,24,27,28-decahydro-5H,9H,13H,21H,25H-dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosin-5,9,13,21,25- penton [German] [ACD/IUPAC Name]
(7R,15R,23R,27R)-2,4,18,20-Tetrahydroxy-11-(hydroxymethyl)-7,15,23,27-tetramethyl-7,8,11,12,15,16,23,24,27,28-decahydro-5H,9H,13H,21H,25H-dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosine-5,9,13,21,25 -pentone [ACD/IUPAC Name]
(7R,15R,23R,27R)-2,4,18,20-Tétrahydroxy-11-(hydroxyméthyl)-7,15,23,27-tétraméthyl-7,8,11,12,15,16,23,24,27,28-décahydro-5H,9H,13H,21H,25H-dibenzo[k,u][1,5,9,15,19]pentaoxacyclotétracosine-5,9,13,21,25 -pentone [French] [ACD/IUPAC Name]
5H,9H,13H,21H,25H-Dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosin-5,9,13,21,25-pentone, 7,8,11,12,15,16,23,24,27,28-decahydro-2,4,18,20-tetrahydroxy-11-(hydroxymethyl)-7,15,23,27-tetramethyl-, (7R,15 R,23R,27R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1076.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.4±3.0 kJ/mol
Flash Point: 342.6±27.8 °C
Index of Refraction: 1.532
Molar Refractivity: 159.6±0.3 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.32
ACD/KOC (pH 5.5): 460.74
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 8.56
ACD/KOC (pH 7.4): 105.72
Polar Surface Area: 233 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 515.3±3.0 cm3

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