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Search term: coelimycin P1 (Found by approved synonym)
ChemSpider 2D Image | Coelimycin P1 | C17H20N2O4S

Coelimycin P1

  • Molecular FormulaC17H20N2O4S
  • Average mass348.417 Da
  • Monoisotopic mass348.114380 Da
  • ChemSpider ID27475147

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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Natural Product Updates

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

Acetamide, N-[(3R,6E,7Z)-6-(5,6-dihydro-2(1H)-pyridinylidene)-3,4-dihydro-2-oxo-8-[(2E)-1-oxo-2-buten-1-yl]-2H,6H-1,5-oxathiocin-3-yl]- [ACD/Index Name]
Coelimycin P1
N-[(3R,6E,7Z)-8-[(2E)-2-Butenoyl]-6-(5,6-dihydro-2(1H)-pyridinyliden)-2-oxo-3,4-dihydro-2H,6H-1,5-oxathiocin-3-yl]acetamid [German] [ACD/IUPAC Name]
N-[(3R,6E,7Z)-8-[(2E)-2-Butenoyl]-6-(5,6-dihydro-2(1H)-pyridinylidene)-2-oxo-3,4-dihydro-2H,6H-1,5-oxathiocin-3-yl]acetamide [ACD/IUPAC Name]
N-[(3R,6E,7Z)-8-[(2E)-2-Butenoyl]-6-(5,6-dihydro-2(1H)-pyridinylidène)-2-oxo-3,4-dihydro-2H,6H-1,5-oxathiocin-3-yl]acétamide [French] [ACD/IUPAC Name]
E'coelimycin P1'
N-[(3R)-8-[(2E)-but-2-enoyl]-2-oxo-6-[(2E)-1,2,5,6-tetrahydropyridin-2-ylidene]-2,3,4,6-tetrahydro-1,5-oxathiocin-3-yl]acetamide
N-[(3R,6E,7Z)-8-[(2E)-but-2-enoyl]-6-(5,6-dihydropyridin-2(1H)-ylidene)-2-oxo-3,4-dihydro-2H,6H-1,5-oxathiocin-3-yl]acetamide
N-[(3R,6E,7Z)-8-[(E)-but-2-enoyl]-6-(2,3-dihydro-1H-pyridin-6-ylidene)-2-oxo-3,4-dihydro-1,5-oxathiocin-3-yl]acetamide
  • Miscellaneous

    • Chemical Class:

      An organosulfur heterocyclic compound that is 1,5-oxathiocane which has been substituted at the 2-pro-R, 3, 6, and 8 positions by oxo, acetamido, 5,6-dihydropyridin-2(1H)-ylidene, and (2E)-but-2-eno yl groups, respectively, and which has been dehydrogenated to introduce a double bond at the 7-8 position. It was isolated from Streptomyces coelicolor M145 after genetically engineered increase of th e metabolic flux and is the product of a polyketide biosynthetic gene cluster. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:142547, CHEBI:142547

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.3±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.30
ACD/KOC (pH 5.5): 98.86
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.30
ACD/KOC (pH 7.4): 98.90
Polar Surface Area: 110 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 270.7±5.0 cm3

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