ChemSpider 2D Image | (3R)-16-{[(1S)-1-Carboxyethyl]amino}-16-oxo-3-hexadecanyl 6-O-(3-carboxypropanoyl)-beta-D-glucopyranoside | C29H51NO12

(3R)-16-{[(1S)-1-Carboxyethyl]amino}-16-oxo-3-hexadecanyl 6-O-(3-carboxypropanoyl)-β-D-glucopyranoside

  • Molecular FormulaC29H51NO12
  • Average mass605.715 Da
  • Monoisotopic mass605.341125 Da
  • ChemSpider ID44210727

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3R)-16-{[(1S)-1-Carboxyethyl]amino}-16-oxo-3-hexadecanyl 6-O-(3-carboxypropanoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(3R)-16-{[(1S)-1-Carboxyethyl]amino}-16-oxo-3-hexadecanyl-6-O-(3-carboxypropanoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(3-Carboxypropanoyl)-β-D-glucopyranoside de (3R)-16-{[(1S)-1-carboxyéthyl]amino}-16-oxo-3-hexadécanyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1R)-14-[[(1S)-1-carboxyethyl]amino]-1-ethyl-14-oxotetradecyl, 6-(3-carboxypropanoate) [ACD/Index 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: 820.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.8±6.0 kJ/mol
Flash Point: 450.1±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 4.54
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 487.4±5.0 cm3

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