ChemSpider 2D Image | (2S)-2-Amino-5,5-bis{[(1S,4R)-5-amino-1-carboxy-4-hydroxypentyl]amino}hexanoic acid (non-preferred name) | C18H37N5O8

(2S)-2-Amino-5,5-bis{[(1S,4R)-5-amino-1-carboxy-4-hydroxypentyl]amino}hexanoic acid (non-preferred name)

  • Molecular FormulaC18H37N5O8
  • Average mass451.515 Da
  • Monoisotopic mass451.264221 Da
  • ChemSpider ID58835646

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-2-Amino-5,5-bis{[(1S,4R)-5-amino-1-carboxy-4-hydroxypentyl]amino}hexanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-2-Amino-5,5-bis{[(1S,4R)-5-amino-1-carboxy-4-hydroxypentyl]amino}hexansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-5,5-bis{[(1S,4R)-5-amino-1-carboxy-4-hydroxypentyl]amino}hexanoïque (non-preferred name) [French] [ACD/IUPAC Name]
32619-23-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 796.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 132.0±6.0 kJ/mol
Flash Point: 435.5±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 110.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 13
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -7.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 254 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 335.1±3.0 cm3

Click to predict properties on the Chemicalize site


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