Found 1 result

Search term: TWCJCOZMQBRJOA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(Butyrylamino)-2-deoxy-1-O-{N-[(8Z)-8-hexadecenoyl]-L-valyl}-alpha-D-glucopyranose | C31H56N2O8

2-(Butyrylamino)-2-deoxy-1-O-{N-[(8Z)-8-hexadecenoyl]-L-valyl}-α-D-glucopyranose

  • Molecular FormulaC31H56N2O8
  • Average mass584.785 Da
  • Monoisotopic mass584.403687 Da
  • ChemSpider ID23340780

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2-(Butyrylamino)-2-deoxy-1-O-{N-[(8Z)-8-hexadecenoyl]-L-valyl}-α-D-glucopyranose [ACD/IUPAC Name]
2-(Butyrylamino)-2-desoxy-1-O-{N-[(8Z)-8-hexadecenoyl]-L-valyl}-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-(Butyrylamino)-2-désoxy-1-O-{N-[(8Z)-8-hexadecenoyl]-L-valyl}-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-deoxy-2-[(1-oxobutyl)amino]-1-O-[N-[(8Z)-1-oxo-8-hexadecen-1-yl]-L-valyl]- [ACD/Index Name]
(S)-((2R,3R,4R,5S,6R)-3-butyramido-4,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl) 2-((Z)-hexadec-8-enamido)-3-methylbutanoate
2-(butanoylamino)-2-deoxy-1-O-{N-[(8Z)-hexadec-8-enoyl]-L-valyl}-α-D-glucopyranose
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518533/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 772.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.3±6.0 kJ/mol
Flash Point: 421.3±32.9 °C
Index of Refraction: 1.520
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11307.32
ACD/KOC (pH 5.5): 27732.16
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11307.24
ACD/KOC (pH 7.4): 27731.97
Polar Surface Area: 154 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 523.2±5.0 cm3

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