Found 98 results

Search term: MF = 'C_{37}H_{49}N_{3}O_{6}'
ChemSpider 2D Image | N-[({(E)-[(3E,8xi,9xi,14xi)-17-Hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylphenylalanine | C37H49N3O6

N-[({(E)-[(3E,8ξ,9ξ,14ξ)-17-Hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylphenylalanine

  • Molecular FormulaC37H49N3O6
  • Average mass631.802 Da
  • Monoisotopic mass631.362122 Da
  • ChemSpider ID17463885

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 8 defined stereocentres

More details:

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

N-[({(E)-[(3E,8ξ,9ξ,14ξ)-17-Hydroxypregn-4-en-20-in-3-yliden]amino}oxy)acetyl]valylphenylalanin [German] [ACD/IUPAC Name]
N-[({(E)-[(3E,8ξ,9ξ,14ξ)-17-Hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylphenylalanine [ACD/IUPAC Name]
N-[2-({(E)-[(3E,8ξ,9ξ,14ξ)-17-Hydroxyprégn-4-én-20-yn-3-ylidène]amino}oxy)acétyl]valylphénylalanine [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[[(3E,8ξ,9ξ,14ξ)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino]oxy]acetyl]valyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 175.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 38.36
ACD/KOC (pH 5.5): 102.19
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 5.25
Polar Surface Area: 137 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 503.1±7.0 cm3

Click to predict properties on the Chemicalize site


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