Found 1 result

Search term: 78444286 (Found by CSID)
ChemSpider 2D Image | 2,2'-[6,30-Bis(2-aminoethyl)-21-(2-amino-2-oxoethyl)-3-benzyl-9-sec-butyl-33-{[N-(3-hydroxy-8-methyldecanoyl)seryl]amino}-12-(1H-indol-3-ylmethyl)-34-methyl-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1-o xa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontane-18,27-diyl]diacetic acid | C68H100N16O21

2,2'-[6,30-Bis(2-aminoethyl)-21-(2-amino-2-oxoethyl)-3-benzyl-9-sec-butyl-33-{[N-(3-hydroxy-8-methyldecanoyl)seryl]amino}-12-(1H-indol-3-ylmethyl)-34-methyl-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1-o xa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontane-18,27-diyl]diacetic acid

  • Molecular FormulaC68H100N16O21
  • Average mass1477.616 Da
  • Monoisotopic mass1476.724854 Da
  • ChemSpider ID78444286

More details:

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

1-Oxa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontane-18,27-diacetic acid, 6,30-bis(2-aminoethyl)-21-(2-amino-2-oxoethyl)-33-[[3-hydroxy-2-[(3-hydroxy-8-methyl-1-oxodecyl)amino]-1-oxopropyl]a mino]-12-(1H-indol-3-ylmethyl)-34-methyl-9-(1-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-3-(phenylmethyl)- [ACD/Index Name]
2,2'-[6,30-Bis(2-aminoethyl)-21-(2-amino-2-oxoethyl)-3-benzyl-9-sec-butyl-33-{[N-(3-hydroxy-8-methyldecanoyl)seryl]amino}-12-(1H-indol-3-ylmethyl)-34-methyl-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1-o xa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontan-18,27-diyl]diessigsäure [German] [ACD/IUPAC Name]
2,2'-[6,30-Bis(2-aminoethyl)-21-(2-amino-2-oxoethyl)-3-benzyl-9-sec-butyl-33-{[N-(3-hydroxy-8-methyldecanoyl)seryl]amino}-12-(1H-indol-3-ylmethyl)-34-methyl-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1-o xa-4,7,10,13,16,19,22,25,28,31-decaazacyclotetratriacontane-18,27-diyl]diacetic acid [ACD/IUPAC Name]
Acide 2,2'-[6,30-bis(2-aminoéthyl)-21-(2-amino-2-oxoéthyl)-3-benzyl-9-sec-butyl-33-{[N-(3-hydroxy-8-méthyldecanoyl)séryl]amino}-12-(1H-indol-3-ylméthyl)-34-méthyl-2,5,8,11,14,17,20,23,26,29,32-undécao xo-1-oxa-4,7,10,13,16,19,22,25,28,31-décaazacyclotétratriacontane-18,27-diyl]diacétique [French] [ACD/IUPAC Name]
Bu-2841-10

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1907.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 327.6±3.0 kJ/mol
Flash Point: 1107.2±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 375.1±0.4 cm3
#H bond acceptors: 37
#H bond donors: 23
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: -4.96
ACD/LogD (pH 5.5): -7.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 601 Å2
Polarizability: 148.7±0.5 10-24cm3
Surface Tension: 78.5±5.0 dyne/cm
Molar Volume: 1057.9±5.0 cm3

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