ChemSpider 2D Image | O-Sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-D-norleucyl-L-alpha-aspartyl-L-phenylalaninamide | C45H57N9O14S

O-Sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-D-norleucyl-L-α-aspartyl-L-phenylalaninamide

  • Molecular FormulaC45H57N9O14S
  • Average mass980.051 Da
  • Monoisotopic mass979.374573 Da
  • ChemSpider ID147304

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

17650-98-5 [RN]
L-Phenylalaninamide, O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-D-norleucyl-L-α-aspartyl- [ACD/Index Name]
O-Sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-D-norleucyl-L-α-asparagyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
O-Sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-D-norleucyl-L-α-aspartyl-L-phenylalaninamide [ACD/IUPAC Name]
O-Sulfo-L-tyrosyl-L-thréonylglycyl-L-tryptophyl-D-norleucyl-L-α-aspartyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
8-Nle-cer(4-10)
8-Norleucine-ceruletide(4-10)
Caerulein(4-10), nle(8)-
Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-aspartic acid-8-L-norleucine-
Ceruletide(4-10), 8-norleucine-
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 248.5±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: 2.46
ACD/LogD (pH 5.5): -3.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 389 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 696.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement