ChemSpider 2D Image | 1-[3-(3-{[(1S,2R)-1-Carboxy-2-hydroxypropyl]carbamoyl}-6-hydroxy-9H-beta-carbolin-1-yl)propanoyl]-L-proline | C24H26N4O8

1-[3-(3-{[(1S,2R)-1-Carboxy-2-hydroxypropyl]carbamoyl}-6-hydroxy-9H-β-carbolin-1-yl)propanoyl]-L-proline

  • Molecular FormulaC24H26N4O8
  • Average mass498.485 Da
  • Monoisotopic mass498.175049 Da
  • ChemSpider ID28637704

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

1-[3-(3-{[(1S,2R)-1-Carboxy-2-hydroxypropyl]carbamoyl}-6-hydroxy-9H-β-carbolin-1-yl)propanoyl]-L-prolin [German] [ACD/IUPAC Name]
1-[3-(3-{[(1S,2R)-1-Carboxy-2-hydroxypropyl]carbamoyl}-6-hydroxy-9H-β-carbolin-1-yl)propanoyl]-L-proline [ACD/IUPAC Name]
1-[3-(3-{[(1S,2R)-1-Carboxy-2-hydroxypropyl]carbamoyl}-6-hydroxy-9H-β-carbolin-1-yl)propanoyl]-L-proline [French] [ACD/IUPAC Name]
L-Proline, 1-[3-[3-[[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]carbonyl]-6-hydroxy-9H-pyrido[3,4-b]indol-1-yl]-1-oxopropyl]- [ACD/Index Name]
6-hydroxymetatacarboline D

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

Density: 1.6±0.1 g/cm3
Boiling Point: 956.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.9±3.0 kJ/mol
Flash Point: 532.3±34.3 °C
Index of Refraction: 1.721
Molar Refractivity: 127.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -3.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 193 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 91.9±3.0 dyne/cm
Molar Volume: 321.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement