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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[31.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26.2^28,31]nonatetracontane-36,37,38,39,40,41,42, 43,44,45,46,47,48,49-tetradecol

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

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

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Chemically impossible structures (eg. incorrect valence atoms)
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Names and Synonyms
Database ID(s)

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[31.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26.2^28,31]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[31.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26.2^28,31]nonatetracontane-36,37,38,39,40,41,42, 43,44,45,46,47,48,49-tetradecol [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[31.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26.2^28,31]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[31.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26.2^28,31]nonatetracontane-36,37,38,39,40,41,42, 43,44,45,46,47,48,49-tetradecol (non-preferred name) [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[31.2.2.2^3,6.2^8,11.2^13,16.2^18,21.2^23,26.2^28,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (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]

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

NSC269471 [DBID]

Predicted - ACD/Labs
Predicted - ChemAxon

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

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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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

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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

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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