ChemSpider 2D Image | BIOTINOYL TRIPEPTIDE-1 | C24H38N8O6S

BIOTINOYL TRIPEPTIDE-1

  • Molecular FormulaC24H38N8O6S
  • Average mass566.674 Da
  • Monoisotopic mass566.263489 Da
  • ChemSpider ID9709025

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-2-[(2S)-2-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}acetamido)-3-(1H-imidazol-5-yl)propanamido]-6-aminohexanoic acid
299157-54-3 [RN]
BIOTINOYL TRIPEPTIDE-1
L-Lysine, N-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]glycyl-L-histidyl- [ACD/Index Name]
N-{5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}glycyl-L-histidyl-L-lysin [German] [ACD/IUPAC Name]
N-{5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}glycyl-L-histidyl-L-lysine [ACD/IUPAC Name]
N-{5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanoyl}glycyl-L-histidyl-L-lysine [French] [ACD/IUPAC Name]
Biotinoyl-Tripeptide-1
N-?[5-?[(3aS,?4S,?6aR)?-?hexahydro-?2-?oxo-?1H-?thieno[3,?4-?d]?imidazol-?4-?yl]?-?1-?oxopentyl]?glycyl-?L-?histidyl-L-?Lysine

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

O6380721VA [DBID]
UNII:O6380721VA [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1128.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 174.1±3.0 kJ/mol
Flash Point: 636.3±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 143.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -2.02
ACD/LogD (pH 5.5): -4.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 246 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 428.8±3.0 cm3

Click to predict properties on the Chemicalize site


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