Found 1 result

Search term: 8207673 (Found by CSID)
ChemSpider 2D Image | Dinochrome A | C42H58O5

Dinochrome A

  • Molecular FormulaC42H58O5
  • Average mass642.907 Da
  • Monoisotopic mass642.428406 Da
  • ChemSpider ID8207673

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3S,3'S,5R,5'R,8R,9cis)-3,5'-Dihydroxy-6,7'-didehydro-5,5',6,8-tetrahydro-5,8-epoxy-β,β-caroten-3'-yl acetate [ACD/IUPAC Name]
(3S,3'S,5R,5'R,8R,9cis)-3,5'-Dihydroxy-6,7'-didehydro-5,5',6,8-tetrahydro-5,8-epoxy-β,β-carotin-3'-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3S,3'S,5R,5'R,8R,9cis)-3,5'-dihydroxy-6,7'-didéhydro-5,5',6,8-tétrahydro-5,8-époxy-β,β-carotén-3'-yle [French] [ACD/IUPAC Name]
Dinochrome A
β,β-Carotene-3,3',5-triol, 6,7-didehydro-5',8'-epoxy-5,5',6,8'-tetrahydro-, 3-acetate, (3S,3'S,5R,5'R,8'R,9'cis)- [ACD/Index Name]
(3S,3'S,5R,5'R,6'R,8R,8'R,9cis)-3,5'-Dihydroxy-6,7'-didehydro-5,5',6,8-tetrahydro-5,8-epoxy-β,β-caroten-3'-yl acetate [ACD/IUPAC Name]
(3S,5R,6R,3'S,5'R,8'R)-5',8'-epoxy-6,7-didehydro-5,6,5',8'-tetrahydro-β,β- carotene-3,5,39-triol 3-O-acetate
74709-52-7 [RN]
  • Miscellaneous

    • Chemical Class:

      A carotenoid that is 6,7'-didehydro-5,5',6,8-tetrahydro-5,8-epoxy-<stereo>beta</stereo>,<stereo>beta</stereo>-carotene substituted by acetyloxy group at position 3' and hydroxy groups at positions 3 a nd 5' respectively. Isolated from the fresh water red tide <ital>Peridinium bipes</ital>, it has been found to inhibit proliferation of human malignant tumor cells, such as GOTO, OST and HeLa cells. ChEBI CHEBI:65797
      A carotenoid that is 6,7'-didehydro-5,5',6,8-tetrahydro-5,8-epoxy-beta,beta-carotene substituted by acetyloxy group at position 3' and hydroxy groups at positions 3 a; nd 5' respectively. Isolated fro m the fresh water red tide Peridinium bipes, it has been found to inhibit proliferation of human malignant tumor cells, such as GOTO, OST and HeLa cells. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65797

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

Density: 1.1±0.1 g/cm3
Boiling Point: 743.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.7±6.0 kJ/mol
Flash Point: 216.4±26.4 °C
Index of Refraction: 1.562
Molar Refractivity: 194.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.18
ACD/LogD (pH 5.5): 8.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1126694.00
ACD/LogD (pH 7.4): 8.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1126694.00
Polar Surface Area: 76 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 601.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement