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Deprecated ChemSpider Record

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ChemSpider 2D Image | 5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,
43,44,45,46,47,48,49-tetradecol | C42H70O35

5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42, 43,44,45,46,47,48,49-tetradecol

  • Molecular FormulaC42H70O35
  • Average mass1134.984 Da
  • Monoisotopic mass1134.369751 Da
  • ChemSpider ID283949

More details:





Date of deprecation: 13:46, Aug 29, 2017
Reason for deprecation: Deprecate record: name-to-structure error, now missing all stereochemistry.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-36,37,38,39,40,41,42,4 3,44,45,46,47,48,49-tetradecol [German] [ACD/IUPAC Name]
5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42, 43,44,45,46,47,48,49-tetradecol [ACD/IUPAC Name]
5,10,15,20,25,30,35-Heptakis(hydroxyméthyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tétradécaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatétracontane-36,37,38,39,40,41,42, 43,44,45,46,47,48,49-tétradécol [French] [ACD/IUPAC Name]
5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-preferred name)
5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
7585-39-9 [RN]

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

NSC269471 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 1541.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 268.0±6.0 kJ/mol
Flash Point: 885.9±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 236.1±0.3 cm3
#H bond acceptors: 35
#H bond donors: 21
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -6.57
ACD/LogD (pH 5.5): -7.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 554 Å2
Polarizability: 93.6±0.5 10-24cm3
Surface Tension: 73.9±3.0 dyne/cm
Molar Volume: 698.8±3.0 cm3

Click to predict properties on the Chemicalize site






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