ChemSpider 2D Image | Asukamycin | C31H34N2O7

Asukamycin

  • Molecular FormulaC31H34N2O7
  • Average mass546.611 Da
  • Monoisotopic mass546.236572 Da
  • ChemSpider ID4945243

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E,4E,6E)-7-Cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-heptatrienamid [German] [ACD/IUPAC Name]
(2E,4E,6E)-7-Cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-heptatrienamide [ACD/IUPAC Name]
(2E,4E,6E)-7-Cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopentén-1-yl)amino]-7-oxo-1,3,5-heptatrién-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-én-3-yl]-2,4,6-heptatriénamide [French] [ACD/IUPAC Name]
2,4,6-Heptatrienamide, 7-cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-, (2E,4E,6 E)- [ACD/Index Name]
61116-33-4 [RN]
Asukamycin
(2E,4E,6E)-7-[(1R,2S,6S)-4-[(2E,4E,6E)-7-CYCLOHEXYLHEPTA-2,4,6-TRIENAMIDO]-2-HYDROXY-5-OXO-7-OXABICYCLO[4.1.0]HEPT-3-EN-2-YL]-N-(2-HYDROXY-5-OXOCYCLOPENT-1-EN-1-YL)HEPTA-2,4,6-TRIENAMIDE
(2E,4E,6E)-7-cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-heptatrienamide
(2E,4E,6E)-7-cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hepta-2,4,6-trienamide
2,4,6-Heptatrienamide, 7-cyclohexyl-N-(5-hydroxy-5-(7-((2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino)-7-oxo-1,3,5-heptatrienyl)-2-oxo-7-oxabicyclo(4.1.0)hept-3-en-3-yl)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3639742 [DBID]
AM 1042 [DBID]
BRN 3639742 [DBID]
C12099 [DBID]
  • Miscellaneous

    • Chemical Class:

      A polyketide that is a member of the manumycin family of antibiotics and exhibits strong antibacterial, antifungal, and antineoplastic activities. Isolated from from the actinomycete bacterium <ital>S treptomyces nodosus</ital> subsp. <ital>asukaensis</ital>. ChEBI CHEBI:73481
      A polyketide that is a member of the manumycin family of antibiotics and exhibits strong antibacterial, antifungal, and antineoplastic activities. Isolated from from the actinomycete bacterium S; trep tomyces nodosus subsp. asukaensis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73481
      A polyketide that is a member of the manumycin family of antibiotics and exhibits strong antibacterial, antifungal, and antineoplastic activities. Isolated from from the actinomycete bacterium Strepto myces nodosus subsp. asukaensis. ChEBI CHEBI:73481

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

Density: 1.3±0.1 g/cm3
Boiling Point: 910.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.2±6.0 kJ/mol
Flash Point: 504.1±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 148.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.23
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 411.2±5.0 cm3

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