ChemSpider 2D Image | CYCLOTETRAPEPTIDE-24 AMINOCYCLOHEXANE CARBOXYLATE | C28H40N8O7

CYCLOTETRAPEPTIDE-24 AMINOCYCLOHEXANE CARBOXYLATE

  • Molecular FormulaC28H40N8O7
  • Average mass600.667 Da
  • Monoisotopic mass600.302002 Da
  • ChemSpider ID8049164

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(9R,12S,18S)-9-Benzyl-18-{3-[(diaminomethylen)amino]propyl}-8,11,14,17,20-pentaoxo-7,10,13,16,19-pentaazaspiro[5.14]icos-12-yl]essigsäure [German] [ACD/IUPAC Name]
[(9R,12S,18S)-9-Benzyl-18-{3-[(diaminomethylene)amino]propyl}-8,11,14,17,20-pentaoxo-7,10,13,16,19-pentaazaspiro[5.14]icos-12-yl]acetic acid [ACD/IUPAC Name]
197172-76-2 [RN]
7,10,13,16,19-Pentaazaspiro[5.14]eicosane-12-acetic acid, 18-[3-[(diaminomethylene)amino]propyl]-8,11,14,17,20-pentaoxo-9-(phenylmethyl)-, (9R,12S,18S)- [ACD/Index Name]
Acide [(9R,12S,18S)-9-benzyl-18-{3-[(diaminométhylène)amino]propyl}-8,11,14,17,20-pentaoxo-7,10,13,16,19-pentaazaspiro[5.14]icos-12-yl]acétique [French] [ACD/IUPAC Name]
CYCLOTETRAPEPTIDE-24 AMINOCYCLOHEXANE CARBOXYLATE

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

NR327745KQ [DBID]
UNII:NR327745KQ [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 152.6±0.5 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -3.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 247 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 405.0±7.0 cm3

Click to predict properties on the Chemicalize site


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