Found 1 result

Search term: YLQQUBXHSIQZNL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S,5S,8S,11S,14S)-14-{[(5S,8S,11S,14S,17S,20S,26S,29S)-32-Amino-17,29-bis(3-amino-3-oxopropyl)-5,8-di[(2S)-2-butanyl]-20-(3-carbamimidamidopropyl)-26-isopropyl-11-methyl-14-(2-naphthylmethyl)-4,7,10, 13,16,19,22,25,28,31-decaoxo-3,6,9,12,15,18,21,24,27,30-decaazadotriacontan-1-oyl]amino}-5-(2-amino-2-oxoethyl)-8-[(2S)-2-butanyl]-2-(3-carbamimidamidopropyl)-11-(carboxymethyl)-4,7,10,13-tetraoxo-3,6 ,9,12-tetraazahexadecane-1,16-dioic acid | C79H125N25O24

(2S,5S,8S,11S,14S)-14-{[(5S,8S,11S,14S,17S,20S,26S,29S)-32-Amino-17,29-bis(3-amino-3-oxopropyl)-5,8-di[(2S)-2-butanyl]-20-(3-carbamimidamidopropyl)-26-isopropyl-11-methyl-14-(2-naphthylmethyl)-4,7,10, 13,16,19,22,25,28,31-decaoxo-3,6,9,12,15,18,21,24,27,30-decaazadotriacontan-1-oyl]amino}-5-(2-amino-2-oxoethyl)-8-[(2S)-2-butanyl]-2-(3-carbamimidamidopropyl)-11-(carboxymethyl)-4,7,10,13-tetraoxo-3,6 ,9,12-tetraazahexadecane-1,16-dioic acid

  • Molecular FormulaC79H125N25O24
  • Average mass1808.991 Da
  • Monoisotopic mass1807.932983 Da
  • ChemSpider ID24709514

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2S,5S,8S,11S,14S)-14-{[(5S,8S,11S,14S,17S,20S,26S,29S)-32-Amino-17,29-bis(3-amino-3-oxopropyl)-5,8-di[(2S)-2-butanyl]-20-(3-carbamimidamidopropyl)-26-isopropyl-11-methyl-14-(2-naphthylmethyl)-4,7,10, 13,16,19,22,25,28,31-decaoxo-3,6,9,12,15,18,21,24,27,30-decaazadotriacontan-1-oyl]amino}-5-(2-amino-2-oxoethyl)-8-[(2S)-2-butanyl]-2-(3-carbamimidamidopropyl)-11-(carboxymethyl)-4,7,10,13-tetraoxo-3,6 ,9,12-tetraazahexadecan-1,16-disäure [German] [ACD/IUPAC Name]
(2S,5S,8S,11S,14S)-14-{[(5S,8S,11S,14S,17S,20S,26S,29S)-32-Amino-17,29-bis(3-amino-3-oxopropyl)-5,8-di[(2S)-2-butanyl]-20-(3-carbamimidamidopropyl)-26-isopropyl-11-methyl-14-(2-naphthylmethyl)-4,7,10, 13,16,19,22,25,28,31-decaoxo-3,6,9,12,15,18,21,24,27,30-decaazadotriacontan-1-oyl]amino}-5-(2-amino-2-oxoethyl)-8-[(2S)-2-butanyl]-2-(3-carbamimidamidopropyl)-11-(carboxymethyl)-4,7,10,13-tetraoxo-3,6 ,9,12-tetraazahexadecane-1,16-dioic acid [ACD/IUPAC Name]
Acide (2S,5S,8S,11S,14S)-14-{[(5S,8S,11S,14S,17S,20S,26S,29S)-32-amino-17,29-bis(3-amino-3-oxopropyl)-5,8-di[(2S)-2-butanyl]-20-(3-carbamimidamidopropyl)-26-isopropyl-11-méthyl-14-(2-naphtylméthyl)-4, 7,10,13,16,19,22,25,28,31-décaoxo-3,6,9,12,15,18,21,24,27,30-decaazadotriacontan-1-oyl]amino}-5-(2-amino-2-oxoéthyl)-8-[(2S)-2-butanyl]-2-(3-carbamimidamidopropyl)-11-(carboxyméthyl)-4,7,10,13-tétraox o-3,6,9,12-tétraazahexadécane-1,16-dioïque [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.656
Molar Refractivity: 447.6±0.5 cm3
#H bond acceptors: 49
#H bond donors: 34
#Freely Rotating Bonds: 62
#Rule of 5 Violations: 3
ACD/LogP: -2.01
ACD/LogD (pH 5.5): -6.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 827 Å2
Polarizability: 177.4±0.5 10-24cm3
Surface Tension: 64.8±7.0 dyne/cm
Molar Volume: 1218.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement