ChemSpider 2D Image | Depudecin | C11H16O4

Depudecin

  • Molecular FormulaC11H16O4
  • Average mass212.242 Da
  • Monoisotopic mass212.104858 Da
  • ChemSpider ID21169370

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(-)-depudecin
(1S,3E,6S)-1,2:5,6-Dianhydro-3,4-dideoxy-1-[(1R)-1-hydroxyethyl]-6-[(1R)-1-hydroxy-2-propen-1-yl]-D-threo-hex-3-enitol [ACD/IUPAC Name]
(1S,3E,6S)-1,2:5,6-Dianhydro-3,4-didesoxy-1-[(1R)-1-hydroxyethyl]-6-[(1R)-1-hydroxy-2-propen-1-yl]-D-threo-hex-3-enitol [German] [ACD/IUPAC Name]
(1S,3E,6S)-1,2:5,6-Dianhydro-3,4-didésoxy-1-[(1R)-1-hydroxyéthyl]-6-[(1R)-1-hydroxy-2-propén-1-yl]-D-thréo-hex-3-énitol [French] [ACD/IUPAC Name]
139508-73-9 [RN]
4,5:8,9-Dianhydro-1,2,6,7,11-pentadeoxy-D-threo-D-ido-undeca-1,6-dienitol
Depudecin
D-threo-D-ido-Undeca-1,6-dienitol, 4,5:8,9-dianhydro-1,2,6,7,11-pentadeoxy-, (6E)- [ACD/Index Name]
MFCD04039998
(−)-Depudecin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:64143 [DBID]
D5816_SIGMA [DBID]
  • Miscellaneous

    • Chemical Class:

      A polyketide obtained from the fungus <ital>Alternaria brassicicola</ital> and having a highly unusual structure of an 11-carbon chain containing two epoxides and six stereogenic centres. It is an in hibitor of histone deacetylase (HDAC) both <ital>in vivo</ital> and <ital>in vitro</ital> and also exhibits anti-angiogenic activity. ChEBI CHEBI:64143
      A polyketide obtained from the fungus Alternaria brassicicola and having a highly unusual structure of an 11-carbon chain containing two epoxides and six stereogenic centres. It is an in; hibitor of histone deacetylase (HDAC) both in vivo and in vitro and also exhibits anti-angiogenic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64143

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

Density: 1.4±0.1 g/cm3
Boiling Point: 369.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.3±6.0 kJ/mol
Flash Point: 177.2±25.1 °C
Index of Refraction: 1.707
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.67
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.37
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.37
Polar Surface Area: 66 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 81.6±3.0 dyne/cm
Molar Volume: 150.0±3.0 cm3

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