Found 1 result

Search term: MF = 'C_{54}H_{95}N_{13}O_{20}S_{2}'
ChemSpider 2D Image | UNII:8FOJ430U94 | C54H95N13O20S2

UNII:8FOJ430U94

  • Molecular FormulaC54H95N13O20S2
  • Average mass1310.537 Da
  • Monoisotopic mass1309.625732 Da
  • ChemSpider ID52084576

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Glutamine, N-[2-[2-[2-[[1-oxo-4-[[[1-oxo-16-(1H-tetrazol-5-yl)hexadecyl]amino]sulfonyl]butyl]amino]ethoxy]ethoxy]acetyl]-L-γ-glutamyl-N-[(10S,20R)-20-amino-10-(aminocarbonyl)-20-carboxy-8,16-dio xo-3,6-dioxa-18-thia-9,15-diazaeicos-1-yl]- [ACD/Index Name]
N-[10,16-Dioxo-14,14-dioxydo-31-(1H-tétrazol-5-yl)-3,6-dioxa-14λ6-thia-9,15-diazahentriacontan-1-oyl]-L-γ-glutamyl-N-[(10S,20R)-20-amino-10-carbamoyl-20-carboxy-8,16-dioxo-3,6-dioxa-18-thia ;-9,15-diazaicos-1-yl]-L-glutamine [French] [ACD/IUPAC Name]
N-[14,14-Dioxido-10,16-dioxo-31-(1H-tetrazol-5-yl)-3,6-dioxa-14λ6-thia-9,15-diazahentriacontan-1-oyl]-L-γ-glutamyl-N-[(10S,20R)-20-amino-10-carbamoyl-20-carboxy-8,16-dioxo-3,6-dioxa-18-thia ;-9,15-diazaicos-1-yl]-L-glutamin [German] [ACD/IUPAC Name]
N-[14,14-Dioxido-10,16-dioxo-31-(1H-tetrazol-5-yl)-3,6-dioxa-14λ6-thia-9,15-diazahentriacontan-1-oyl]-L-γ-glutamyl-N-[(10S,20R)-20-amino-10-carbamoyl-20-carboxy-8,16-dioxo-3,6-dioxa-18-thia ;-9,15-diazaicos-1-yl]-L-glutamine [ACD/IUPAC Name]
UNII:8FOJ430U94
1338578-34-9 [RN]
SOMAPACITAN

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: 1.548
Molar Refractivity: 321.9±0.4 cm3
#H bond acceptors: 33
#H bond donors: 15
#Freely Rotating Bonds: 59
#Rule of 5 Violations: 3
ACD/LogP: -0.54
ACD/LogD (pH 5.5): -6.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 544 Å2
Polarizability: 127.6±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 1013.9±3.0 cm3

Click to predict properties on the Chemicalize site


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