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
  • 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
      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 specific apotop ic cell death. It also displays anti-HIV, antibacterial, antifungal and antimalarial activity. ChEBI CHEBI:65525

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

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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