ChemSpider 2D Image | (2S,5R,2'S,5'R)-2,2'-{2-[(1S)-1-Carboxypentyl]-1,3-triazanediyl}bis(6-amino-5-hydroxyhexanoic acid) (non-preferred name) | C18H37N5O8

(2S,5R,2'S,5'R)-2,2'-{2-[(1S)-1-Carboxypentyl]-1,3-triazanediyl}bis(6-amino-5-hydroxyhexanoic acid) (non-preferred name)

  • Molecular FormulaC18H37N5O8
  • Average mass451.515 Da
  • Monoisotopic mass451.264221 Da
  • ChemSpider ID65793655

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,5R,2'S,5'R)-2,2'-{2-[(1S)-1-Carboxypentyl]-1,3-triazandiyl}bis(6-amino-5-hydroxyhexansäure) (non-preferred name) [German] [ACD/IUPAC Name]
(2S,5R,2'S,5'R)-2,2'-{2-[(1S)-1-Carboxypentyl]-1,3-triazanediyl}bis(6-amino-5-hydroxyhexanoic acid) (non-preferred name) [ACD/IUPAC Name]
Acide (2S,5R,2'S,5'R)-2,2'-{2-[(1S)-1-carboxypentyl]-1,3-triazanediyl}bis(6-amino-5-hydroxyhexanoïque) (non-preferred name) [French] [ACD/IUPAC Name]
dihydroxylysinonorleucine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 773.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 421.7±35.7 °C
Index of Refraction: 1.569
Molar Refractivity: 111.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 11
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -3.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 338.7±3.0 cm3

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