ChemSpider 2D Image | 3,4-Dideoxy-1-C-[(8E,10E)-35-formyl-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1~1,35~.1~2,5~.1~20,24~.1~24,27~.1~29,32~.0~12,16~]tritetraconta-8,10 -dien-14-yl]-3-methylpentopyranose | C47H68O15

3,4-Dideoxy-1-C-[(8E,10E)-35-formyl-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10 -dien-14-yl]-3-methylpentopyranose

  • Molecular FormulaC47H68O15
  • Average mass873.034 Da
  • Monoisotopic mass872.455811 Da
  • ChemSpider ID35013613

  • Double-bond stereo - Double-bond stereo

More details:

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

3,4-Dideoxy-1-C-[(8E,10E)-35-formyl-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10 -dien-14-yl]-3-methylpentopyranose [ACD/IUPAC Name]
3,4-Didesoxy-1-C-[(8E,10E)-35-formyl-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,1
 0-dien-14-yl]-3-methylpentopyranose [German] [ACD/IUPAC Name]
3,4-Didésoxy-1-C-[(8E,10E)-35-formyl-28-hydroxy-5,7,9,19,29-pentaméthyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritétraconta-8,1
 0-dién-14-yl]-3-méthylpentopyranose [French] [ACD/IUPAC Name]
(8E,10E)-14-(2,3-dihydroxy-4-methyloxan-2-yl)-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1�,�5.1�,5.1��,�4.1�4,�7.1�?,��.0��,�6]tritetraconta-8,10-diene-35-carbaldehyde
Pectenotoxin 1, 43-deoxy-43-oxo-
Pectenotoxin 3

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 221.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1592.99
ACD/KOC (pH 5.5): 6819.32
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1592.94
ACD/KOC (pH 7.4): 6819.10
Polar Surface Area: 195 Å2
Polarizability: 87.8±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 654.7±5.0 cm3

Click to predict properties on the Chemicalize site


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