Found 12 results

Search term: IJSPTHZVVHPQQN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-C-(35-Carboxy-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)-3,4-did eoxy-3-methylpentopyranose | C47H68O16

1-C-(35-Carboxy-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)-3,4-did eoxy-3-methylpentopyranose

  • Molecular FormulaC47H68O16
  • Average mass889.033 Da
  • Monoisotopic mass888.450745 Da
  • ChemSpider ID2953434

More details:

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

1-C-(35-Carboxy-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)-3,4-did eoxy-3-methylpentopyranose [ACD/IUPAC Name]
1-C-(35-Carboxy-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)-3,4-did esoxy-3-methylpentopyranose [German] [ACD/IUPAC Name]
1-C-(35-Carboxy-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-8,10-dién-14-yl)-3,4-did ésoxy-3-méthylpentopyranose [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 222.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 5.74
ACD/KOC (pH 5.5): 24.85
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.48
Polar Surface Area: 215 Å2
Polarizability: 88.3±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 651.6±5.0 cm3

Click to predict properties on the Chemicalize site


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