Found 1 result

Search term: 78443816 (Found by CSID)
ChemSpider 2D Image | N-Acetyl-S-{(1S,2S,3S)-3-[(1E,3E)-4-cyclopropyl-2-methyl-1,3-butadien-1-yl]-1,2-dihydroxy-1-methyl-2,3-dihydro-1H-indolizinium-8-yl}-L-cysteine | C22H29N2O5S

N-Acetyl-S-{(1S,2S,3S)-3-[(1E,3E)-4-cyclopropyl-2-methyl-1,3-butadien-1-yl]-1,2-dihydroxy-1-methyl-2,3-dihydro-1H-indolizinium-8-yl}-L-cysteine

  • Molecular FormulaC22H29N2O5S
  • Average mass433.540 Da
  • Monoisotopic mass433.179169 Da
  • ChemSpider ID78443816

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Cysteine, N-acetyl-S-[(1S,2S,3S)-3-[(1E,3E)-4-cyclopropyl-2-methyl-1,3-butadien-1-yl]-2,3-dihydro-1,2-dihydroxy-1-methyl-1H-indolizinium-8-yl]- [ACD/Index Name]
N-Acetyl-S-{(1S,2S,3S)-3-[(1E,3E)-4-cyclopropyl-2-methyl-1,3-butadien-1-yl]-1,2-dihydroxy-1-methyl-2,3-dihydro-1H-indolizinium-8-yl}-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-{(1S,2S,3S)-3-[(1E,3E)-4-cyclopropyl-2-methyl-1,3-butadien-1-yl]-1,2-dihydroxy-1-methyl-2,3-dihydro-1H-indolizinium-8-yl}-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-{(1S,2S,3S)-3-[(1E,3E)-4-cyclopropyl-2-méthyl-1,3-butadién-1-yl]-1,2-dihydroxy-1-méthyl-2,3-dihydro-1H-indolizinium-8-yl}-L-cystéine [French] [ACD/IUPAC Name]
streptopertusacin A

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: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -4.41
ACD/LogD (pH 5.5): -2.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.59
ACD/LogD (pH 7.4): -2.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.59
Polar Surface Area: 136 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement