Found 20 results

Search term: MF = 'C_{44}H_{60}O_{5}'
ChemSpider 2D Image | (3R,3'S,5'R,6'S)-5',6'-Dihydro-5',6'-epoxy-beta,beta-carotene-3,3'-diyl diacetate | C44H60O5

(3R,3'S,5'R,6'S)-5',6'-Dihydro-5',6'-epoxy-β,β-carotene-3,3'-diyl diacetate

  • Molecular FormulaC44H60O5
  • Average mass668.944 Da
  • Monoisotopic mass668.444092 Da
  • ChemSpider ID107445683

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,3'S,5'R,6'S)-5',6'-Dihydro-5',6'-epoxy-β,β-carotene-3,3'-diyl diacetate [ACD/IUPAC Name]
(3R,3'S,5'R,6'S)-5',6'-Dihydro-5',6'-epoxy-β,β-carotin-3,3'-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (3R,3'S,5'R,6'S)-5',6'-dihydro-5',6'-époxy-β,β-carotène-3,3'-diyle [French] [ACD/IUPAC Name]
β,β-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-, diacetate, (3S,3'R,5R,6S)- [ACD/Index Name]
280743-16-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 720.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 286.1±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 202.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 11.60
ACD/LogD (pH 5.5): 10.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 65 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 634.5±5.0 cm3

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