ChemSpider 2D Image | Torularhodin | C40H52O2

Torularhodin

  • Molecular FormulaC40H52O2
  • Average mass564.840 Da
  • Monoisotopic mass564.396729 Da
  • ChemSpider ID4444660

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
The Merck Index Online

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

(3'E)-3',4'-Didehydro-β,ψ-caroten-16'-oic acid [ACD/IUPAC Name]
(3'E)-3',4'-Didehydro-β,ψ-carotin-16'-säure [German] [ACD/IUPAC Name]
208-189-3 [EINECS]
3',4'-Didehydro-b,y-caroten-16'-oic Acid
514-92-1 [RN]
Acide (3'E)-3',4'-didéhydro-β,ψ-carotén-16'-oïque [French] [ACD/IUPAC Name]
Torularhodin
β,ψ-Caroten-16'-oic acid, 3',4'-didehydro-, (3'E)- [ACD/Index Name]
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-1-cyclohexenyl)pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid
2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-1-cyclohexenyl)pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

M6I3U8GW5W [DBID]
C08607 [DBID]
NCI60_011910 [DBID]
NSC635690 [DBID]
UNII:M6I3U8GW5W [DBID]
UNII-M6I3U8GW5W [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 733.4±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 559.8±15.2 °C
Index of Refraction: 1.567
Molar Refractivity: 188.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 13.39
ACD/LogD (pH 5.5): 10.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6332945.00
ACD/LogD (pH 7.4): 8.90
ACD/BCF (pH 7.4): 777850.81
ACD/KOC (pH 7.4): 100283.45
Polar Surface Area: 37 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 575.4±3.0 cm3

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