Found 5 results

Search term: MF = 'C_{48}H_{81}N_{3}O_{18}'
ChemSpider 2D Image | N-[(5S,6S,7S,8S,9S,10R)-5,6,7,8,9,10-Hexaacetoxy-24-{[(3S)-6-amino-3-carboxyhexanoyl]amino}tetracosanoyl]-L-valine | C48H81N3O18

N-[(5S,6S,7S,8S,9S,10R)-5,6,7,8,9,10-Hexaacetoxy-24-{[(3S)-6-amino-3-carboxyhexanoyl]amino}tetracosanoyl]-L-valine

  • Molecular FormulaC48H81N3O18
  • Average mass988.166 Da
  • Monoisotopic mass987.551514 Da
  • ChemSpider ID10481722

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

L-Valine, N-[(5S,6S,7S,8S,9S,10R)-5,6,7,8,9,10-hexakis(acetyloxy)-24-[[(3S)-6-amino-3-carboxy-1-oxohexyl]amino]-1-oxotetracosyl]- [ACD/Index Name]
N-[(5S,6S,7S,8S,9S,10R)-5,6,7,8,9,10-Hexaacetoxy-24-{[(3S)-6-amino-3-carboxyhexanoyl]amino}tetracosanoyl]-L-valin [German] [ACD/IUPAC Name]
N-[(5S,6S,7S,8S,9S,10R)-5,6,7,8,9,10-Hexaacetoxy-24-{[(3S)-6-amino-3-carboxyhexanoyl]amino}tetracosanoyl]-L-valine [ACD/IUPAC Name]
N-[(5S,6S,7S,8S,9S,10R)-5,6,7,8,9,10-Hexaacétoxy-24-{[(3S)-6-amino-3-carboxyhexanoyl]amino}tetracosanoyl]-L-valine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1017.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.1±6.0 kJ/mol
Flash Point: 569.4±34.3 °C
Index of Refraction: 1.497
Molar Refractivity: 248.6±0.3 cm3
#H bond acceptors: 21
#H bond donors: 6
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 3
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 4.10
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.65
Polar Surface Area: 317 Å2
Polarizability: 98.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 849.9±3.0 cm3

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