Found 4 results

Search term: MF = 'C_{25}H_{34}N_{6}O_{11}'
ChemSpider 2D Image | (6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-[(1R,2R)-1-{[(3-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]amino}propyl)carbamoyl]oxy}-2,3-dihydroxypropyl]-L-threo-hex-2-enonic acid | C25H34N6O11

(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-[(1R,2R)-1-{[(3-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]amino}propyl)carbamoyl]oxy}-2,3-dihydroxypropyl]-L-threo-hex-2-enonic acid

  • Molecular FormulaC25H34N6O11
  • Average mass594.571 Da
  • Monoisotopic mass594.228577 Da
  • ChemSpider ID28649397

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-[(1R,2R)-1-{[(3-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]amino}propyl)carbamoyl]oxy}-2,3-dihydroxypropyl]-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridesoxy-6-[(1R,2R)-1-{[(3-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]amino}propyl)carbamoyl]oxy}-2,3-dihydroxypropyl]-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridésoxy-6-[(1R,2R)-1-{[(3-{[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]amino}propyl)carbamoyl]oxy}-2,3-dihydroxypropyl]-L-thréo-hex-2-énoniqu e [French] [ACD/IUPAC Name]
D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-, 7-[[3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]amino]propyl]carbamate] [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 12
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -4.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 68.5±7.0 dyne/cm
Molar Volume: 377.2±7.0 cm3

Click to predict properties on the Chemicalize site


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