ChemSpider 2D Image | TMC-1D | C30H40N2O7

TMC-1D

  • Molecular FormulaC30H40N2O7
  • Average mass540.648 Da
  • Monoisotopic mass540.283569 Da
  • ChemSpider ID8274338

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2E)-N-[(3S,4R)-3,4-Dihydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-6-oxo-1-cyclohexen-1-yl]-4,6-dimethyl-2-decenamid [German] [ACD/IUPAC Name]
(2E)-N-[(3S,4R)-3,4-Dihydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl}-6-oxo-1-cyclohexen-1-yl]-4,6-dimethyl-2-decenamide [ACD/IUPAC Name]
(2E)-N-[(3S,4R)-3,4-Dihydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopentén-1-yl)amino]-7-oxo-1,3,5-heptatrién-1-yl}-6-oxo-1-cyclohexén-1-yl]-4,6-diméthyl-2-décénamide [French] [ACD/IUPAC Name]
2-Decenamide, N-[(3S,4R)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl]-6-oxo-1-cyclohexen-1-yl]-4,6-dimethyl-, (2E)- [ACD/Index Name]
TMC-1D
(2E)-N-[(3S,4R)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-6-oxocyclohexen-1-yl]-4,6-dimethyldec-2-enamide
TMC-1 D
  • Miscellaneous

    • Chemical Class:

      A polyene antibiotic that is TMC-1A in which the 2,4-dimethyloct-2-enoyl group has been replaced by an (<stereo>E</stereo>)-4,6-dimethyldec-2-enoyl group. TMC-1D is an antitumour antibiotic isolated f rom <ital>Streptomyces</ital> sp. A-230. ChEBI CHEBI:66237
      A polyene antibiotic that is TMC-1A in which the 2,4-dimethyloct-2-enoyl group has been replaced by an (E)-4,6-dimethyldec-2-enoyl group. TMC-1D is an antitumour antibiotic isolated f; rom Streptomyce s sp. A-230. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66237
      A polyene antibiotic that is TMC-1A in which the 2,4-dimethyloct-2-enoyl group has been replaced by an (E)-4,6-dimethyldec-2-enoyl group. TMC-1D is an antitumour antibiotic isolated from Streptomyces sp. A-230. ChEBI CHEBI:66237

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

Density: 1.2±0.1 g/cm3
Boiling Point: 796.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.0±6.0 kJ/mol
Flash Point: 435.7±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.22
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 437.4±5.0 cm3

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