ChemSpider 2D Image | Delparantag | C56H79N13O12

Delparantag

  • Molecular FormulaC56H79N13O12
  • Average mass1126.306 Da
  • Monoisotopic mass1125.597168 Da
  • ChemSpider ID28528994

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5-{[(2S)-6-Amino-2-{[5-({(2S)-6-amino-2-[(5-{[(2S)-2,6-diaminohexanoyl]amino}-2-methoxybenzoyl)amino]hexanoyl}amino)-2-methoxybenzoyl]amino}hexanoyl]amino}-N-{(2S)-6-amino-1-[(3-carbamoyl-4-methoxyphe nyl)amino]-1-oxo-2-hexanyl}-2-methoxybenzamid [German] [ACD/IUPAC Name]
5-{[(2S)-6-Amino-2-{[5-({(2S)-6-amino-2-[(5-{[(2S)-2,6-diaminohexanoyl]amino}-2-methoxybenzoyl)amino]hexanoyl}amino)-2-methoxybenzoyl]amino}hexanoyl]amino}-N-{(2S)-6-amino-1-[(3-carbamoyl-4-methoxyphe nyl)amino]-1-oxo-2-hexanyl}-2-methoxybenzamide [ACD/IUPAC Name]
5-{[(2S)-6-Amino-2-{[5-({(2S)-6-amino-2-[(5-{[(2S)-2,6-diaminohexanoyl]amino}-2-méthoxybenzoyl)amino]hexanoyl}amino)-2-méthoxybenzoyl]amino}hexanoyl]amino}-N-{(2S)-6-amino-1-[(3-carbamoyl-4-méthoxyphé nyl)amino]-1-oxo-2-hexanyl}-2-méthoxybenzamide [French] [ACD/IUPAC Name]
872454-31-4 [RN]
Benzamide, N-[(1S)-5-amino-1-[[[3-(aminocarbonyl)-4-methoxyphenyl]amino]carbonyl]pentyl]-5-[[(2S)-6-amino-2-[[5-[[(2S)-6-amino-2-[[5-[[(2S)-2,6-diamino-1-oxohexyl]amino]-2-methoxybenzoyl]amino]-1-oxoh exyl]amino]-2-methoxybenzoyl]amino]-1-oxohexyl]amino]-2-methoxy- [ACD/Index Name]
delparantag [Spanish] [INN]
delparantag [French] [INN]
Delparantag [INN] [USAN]
FSY46235ZO
872454-31-4 (free base)
More...

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

9694 [DBID]
PMX 60056 [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: 1323.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 200.1±3.0 kJ/mol
Flash Point: 754.1±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 310.2±0.3 cm3
#H bond acceptors: 25
#H bond donors: 19
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -9.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 414 Å2
Polarizability: 123.0±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 874.7±3.0 cm3

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