Found 6 results

Search term: MF = 'C_{35}H_{49}N_{6}O_{13}'
ChemSpider 2D Image | N-{(3R,5R)-3,5-Dihydroxy-5-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]pentanoyl}-L-threonyl-D-seryl-N-[(3S)-6,7-dihydroxy-1,1-dimethyl-1,2,3,4-tetrahydro-3-quinoliniumyl]-L-serinamide | C35H49N6O13

N-{(3R,5R)-3,5-Dihydroxy-5-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]pentanoyl}-L-threonyl-D-seryl-N-[(3S)-6,7-dihydroxy-1,1-dimethyl-1,2,3,4-tetrahydro-3-quinoliniumyl]-L-serinamide

  • Molecular FormulaC35H49N6O13
  • Average mass761.795 Da
  • Monoisotopic mass761.335205 Da
  • ChemSpider ID78443794

  • Charge - Charge

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

L-Serinamide, N-[(3R,5R)-5-[(4S)-4,5-dihydro-2-(2-hydroxyphenyl)-4-oxazolyl]-3,5-dihydroxy-1-oxopentyl]-L-threonyl-D-seryl-N-[(3S)-1,2,3,4-tetrahydro-6,7-dihydroxy-1,1-dimethyl-3-quinoliniumyl]- [ACD/Index Name]
N-{(3R,5R)-3,5-Dihydroxy-5-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]pentanoyl}-L-threonyl-D-seryl-N-[(3S)-6,7-dihydroxy-1,1-dimethyl-1,2,3,4-tetrahydro-3-chinoliniumyl]-L-serinamid [German] [ACD/IUPAC Name]
N-{(3R,5R)-3,5-Dihydroxy-5-[(4S)-2-(2-hydroxyphényl)-4,5-dihydro-1,3-oxazol-4-yl]pentanoyl}-L-thréonyl-D-séryl-N-[(3S)-6,7-dihydroxy-1,1-diméthyl-1,2,3,4-tétrahydro-3-quinoléiniumyl]-L-sérinamide [French] [ACD/IUPAC Name]
N-{(3R,5R)-3,5-Dihydroxy-5-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]pentanoyl}-L-threonyl-D-seryl-N-[(3S)-6,7-dihydroxy-1,1-dimethyl-1,2,3,4-tetrahydro-3-quinoliniumyl]-L-serinamide [ACD/IUPAC Name]
Anachelin 1

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -6.29
ACD/LogD (pH 5.5): -6.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 300 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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