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Search term: 10480986 (Found by CSID)

ChemSpider 2D Image | bromophycolide A | C27H37Br3O4

bromophycolide A

  • Molecular FormulaC27H37Br3O4
  • Average mass665.292 Da
  • Monoisotopic mass662.024170 Da
  • ChemSpider ID10480986
  • defined stereocentres - 5 of 5 defined stereocentres


More details:



Featured data source



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(7S,8S,11R,12S,15S)-7,11-Dibrom-15-(2-brom-2-propanyl)-12,21-dihydroxy-4,8,12-trimethyl-16-oxatricyclo[16.3.1.03,8]docosa-1(22),3,18,20-tetraen-17-on [German] [ACD/IUPAC Name]
(7S,8S,11R,12S,15S)-7,11-Dibromo-15-(2-bromo-2-propanyl)-12,21-dihydroxy-4,8,12-trimethyl-16-oxatricyclo[16.3.1.03,8]docosa-1(22),3,18,20-tetraen-17-one [ACD/IUPAC Name]
(7S,8S,11R,12S,15S)-7,11-Dibromo-15-(2-bromo-2-propanyl)-12,21-dihydroxy-4,8,12-triméthyl-16-oxatricyclo[16.3.1.03,8]docosa-1(22),3,18,20-tétraén-17-one [French] [ACD/IUPAC Name]
7H-6,2-Metheno-8-benzoxacycloheptadecin-7-one, 13,16-dibromo-9-(1-bromo-1-methylethyl)-1,9,10,11,12,13,14,15,15a,16,17,18-dodecahydro-3,12-dihydroxy-12,15a,19-trimethyl-, (9S,12S,13R,15aS,16S)- [ACD/Index Name]
bromophycolide A
(9S,12S,13R,15aS,16S)-13,16-dibromo-9-(2-bromopropan-2-yl)-3,12-dihydroxy-12,15a,19-trimethyl-1,9,10,11,12,13,14,15,15a,16,17,18-dodecahydro-7H-6,2-(metheno)-8-benzoxacycloheptadecin-7-one
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65525
  • Miscellaneous
    • Chemical Class:

      A diterpenoid that is a macrolide isolated from the Fijian red alga <ital>Callophycus serratus</ital>. It has been found to exhibit moderate cytotoxicity against several human tumour cell lines via sp ecific apotopic cell death. It also displays anti-HIV, antibacterial, antifungal and antimalarial activity. ChEBI CHEBI:65525
      A diterpenoid that is a macrolide isolated from the Fijian red alga Callophycus serratus. It has been found to exhibit moderate cytotoxicity against several human tumour cell lines via sp; ecific apot opic cell death. It also displays anti-HIV, antibacterial, antifungal and antimalarial activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65525

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

Density: 1.6±0.1 g/cm3
Boiling Point: 704.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.8±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 147.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 7.80
ACD/BCF (pH 5.5): 494408.13
ACD/KOC (pH 5.5): 414173.91
ACD/LogD (pH 7.4): 7.74
ACD/BCF (pH 7.4): 435010.03
ACD/KOC (pH 7.4): 364415.13
Polar Surface Area: 67 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 427.3±5.0 cm3

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