ChemSpider 2D Image | Glucosepane | C18H32N6O6

Glucosepane

  • Molecular FormulaC18H32N6O6
  • Average mass428.483 Da
  • Monoisotopic mass428.238342 Da
  • ChemSpider ID26333276

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

257290-23-6 [RN]
6-[(6R,7S)-2-{[(4S)-4-Amino-4-carboxybutyl]amino}-6,7-dihydroxy-6,7,8,8a-tetrahydroimidazo[4,5-b]azepin-4(5H)-yl]-L-norleucin [German] [ACD/IUPAC Name]
6-[(6R,7S)-2-{[(4S)-4-Amino-4-carboxybutyl]amino}-6,7-dihydroxy-6,7,8,8a-tetrahydroimidazo[4,5-b]azepin-4(5H)-yl]-L-norleucine [ACD/IUPAC Name]
6-[(6R,7S)-2-{[(4S)-4-Amino-4-carboxybutyl]amino}-6,7-dihydroxy-6,7,8,8a-tétrahydroimidazo[4,5-b]azépin-4(5H)-yl]-L-norleucine [French] [ACD/IUPAC Name]
Glucosepane [Wiki]
L-Norleucine, 6-[(6R,7S)-2-[[(4S)-4-amino-4-carboxybutyl]amino]-6,7,8,8a-tetrahydro-6,7-dihydroxyimidazo[4,5-b]azepin-4(5H)-yl]- [ACD/Index Name]

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

66K23JT22H [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 697.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.7±6.0 kJ/mol
Flash Point: 375.4±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 102.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -2.94
ACD/LogD (pH 5.5): -7.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 73.0±7.0 dyne/cm
Molar Volume: 267.3±7.0 cm3

Click to predict properties on the Chemicalize site


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