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Search term: 1076199-17-1 (Found by approved synonym)
ChemSpider 2D Image | 3-(2-{2-[2-(2-{[N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-({3-[(2-methyl-2-propanyl)oxy]-3-oxopropyl}amino)-3-oxoalanyl]amino}ethoxy)ethoxy]ethoxy}ethoxy)benzoic acid | C30H47N3O12

3-(2-{2-[2-(2-{[N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-({3-[(2-methyl-2-propanyl)oxy]-3-oxopropyl}amino)-3-oxoalanyl]amino}ethoxy)ethoxy]ethoxy}ethoxy)benzoic acid

  • Molecular FormulaC30H47N3O12
  • Average mass641.707 Da
  • Monoisotopic mass641.315979 Da
  • ChemSpider ID21896570

More details:

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

1076199-17-1 [RN]
3-(2-{2-[2-(2-{[N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-({3-[(2-methyl-2-propanyl)oxy]-3-oxopropyl}amino)-3-oxoalanyl]amino}ethoxy)ethoxy]ethoxy}ethoxy)benzoesäure [German] [ACD/IUPAC Name]
3-(2-{2-[2-(2-{[N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-({3-[(2-methyl-2-propanyl)oxy]-3-oxopropyl}amino)-3-oxoalanyl]amino}ethoxy)ethoxy]ethoxy}ethoxy)benzoic acid [ACD/IUPAC Name]
Acide 3-(2-{2-[2-(2-{[N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-({3-[(2-méthyl-2-propanyl)oxy]-3-oxopropyl}amino)-3-oxoalanyl]amino}éthoxy)éthoxy]éthoxy}éthoxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[14-[[(1,1-dimethylethoxy)carbonyl]amino]-21,21-dimethyl-13,15,19-trioxo-3,6,9,20-tetraoxa-12,16-diazadocos-1-yl]oxy]- [ACD/Index Name]
3-((14-((tert-Butoxycarbonyl)amino)-21,21-dimethyl-13,15,19-trioxo-3,6,9,20-tetraoxa-12,16-diazadocosyl)oxy)benzoic acid
3-[14-(N-Boc-amino)-21,21-dimethyl-13,15,19-trioxo-3,6,9,20-tetraoxa-12,16-diazadocosyloxy]benzoic A
3-[14-(N-Boc-amino)-21,21-dimethyl-13,15,19-trioxo-3,6,9,20-tetraoxa-12,16-diazadocosyloxy]benzoic Acid
3-[14-(N-Boc-amino)-21,21-dimethyl-13,15,19-trioxo-3,6,9,20-tetraoxa-12,16-diazadocosyloxy]benzoicAcid
3-[2-(2-{2-[2-(2-{[3-(TERT-BUTOXY)-3-OXOPROPYL]CARBAMOYL}-2-[(TERT-BUTOXYCARBONYL)AMINO]ACETAMIDO)ETHOXY]ETHOXY}ETHOXY)ETHOXY]BENZOIC ACID
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 839.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 127.8±3.0 kJ/mol
    Flash Point: 461.3±34.3 °C
    Index of Refraction: 1.513
    Molar Refractivity: 161.3±0.3 cm3
    #H bond acceptors: 15
    #H bond donors: 4
    #Freely Rotating Bonds: 24
    #Rule of 5 Violations: 2
    ACD/LogP: 2.59
    ACD/LogD (pH 5.5): 0.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.50
    ACD/LogD (pH 7.4): -0.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 197 Å2
    Polarizability: 63.9±0.5 10-24cm3
    Surface Tension: 45.3±3.0 dyne/cm
    Molar Volume: 536.3±3.0 cm3

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