ChemSpider 2D Image | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID | C40H37N3O10

3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID

  • Molecular FormulaC40H37N3O10
  • Average mass719.736 Da
  • Monoisotopic mass719.247864 Da
  • ChemSpider ID394524

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Naphthalenecarboxylic acid, 3-[[5-[[(2S)-2-(acetylamino)-3-[4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-1-naphthalenyl]-1-oxopropyl]amino]pentyl]oxy]- [ACD/Index Name]
3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID
3-[(5-{[(2S)-2-Acetamido-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-1-naphthyl}propanoyl]amino}pentyl)oxy]-2-naphthoesäure [German] [ACD/IUPAC Name]
3-[(5-{[(2S)-2-Acetamido-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-1-naphthyl}propanoyl]amino}pentyl)oxy]-2-naphthoic acid [ACD/IUPAC Name]
Acide 3-[(5-{[(2S)-2-acétamido-3-{4-[(carboxycarbonyl)(2-carboxyphényl)amino]-1-naphtyl}propanoyl]amino}pentyl)oxy]-2-naphtoïque [French] [ACD/IUPAC Name]
COMPOUND 23

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

515 [DBID]

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: 1.677
Molar Refractivity: 196.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 4.93
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 521.1±3.0 cm3

Click to predict properties on the Chemicalize site


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