Found 1 result

Search term: OZDREFLNGRGSTR-ATEMFORASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4S,8R,11R,14S,17R,20S,23R,26S)-26-Amino-14-(4-aminobutyl)-20,23-dibenzyl-8-hydroxy-11-(1-hydroxyethyl)-17-(1H-indol-3-ylmethyl)-7-methyl-6,10,13,16,19,22,25-heptaoxo-1,2-dithia-5,7,9,12,15,18,21,24-o ctaazacycloheptacosane-4-carboxylic acid | C48H63N11O11S2

(4S,8R,11R,14S,17R,20S,23R,26S)-26-Amino-14-(4-aminobutyl)-20,23-dibenzyl-8-hydroxy-11-(1-hydroxyethyl)-17-(1H-indol-3-ylmethyl)-7-methyl-6,10,13,16,19,22,25-heptaoxo-1,2-dithia-5,7,9,12,15,18,21,24-o ctaazacycloheptacosane-4-carboxylic acid

  • Molecular FormulaC48H63N11O11S2
  • Average mass1034.211 Da
  • Monoisotopic mass1033.415039 Da
  • ChemSpider ID25033676

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4S,8R,11R,14S,17R,20S,23R,26S)-26-Amino-14-(4-aminobutyl)-20,23-dibenzyl-8-hydroxy-11-(1-hydroxyethyl)-17-(1H-indol-3-ylmethyl)-7-methyl-6,10,13,16,19,22,25-heptaoxo-1,2-dithia-5,7,9,12,15,18,21,24-o ctaazacycloheptacosan-4-carbonsäure [German] [ACD/IUPAC Name]
(4S,8R,11R,14S,17R,20S,23R,26S)-26-Amino-14-(4-aminobutyl)-20,23-dibenzyl-8-hydroxy-11-(1-hydroxyethyl)-17-(1H-indol-3-ylmethyl)-7-methyl-6,10,13,16,19,22,25-heptaoxo-1,2-dithia-5,7,9,12,15,18,21,24-o ctaazacycloheptacosane-4-carboxylic acid [ACD/IUPAC Name]
1,2-Dithia-5,7,9,12,15,18,21,24-octaazacycloheptacosane-4-carboxylic acid, 26-amino-14-(4-aminobutyl)-8-hydroxy-11-(1-hydroxyethyl)-17-(1H-indol-3-ylmethyl)-7-methyl-6,10,13,16,19,22,25-heptaoxo-20,23 -bis(phenylmethyl)-, (4S,8R,11R,14S,17R,20S,23R,26S)- [ACD/Index Name]
Acide (4S,8R,11R,14S,17R,20S,23R,26S)-26-amino-14-(4-aminobutyl)-20,23-dibenzyl-8-hydroxy-11-(1-hydroxyéthyl)-17-(1H-indol-3-ylméthyl)-7-méthyl-6,10,13,16,19,22,25-heptaoxo-1,2-dithia-5,7,9,12,15,18,2 1,24-octaazacycloheptacosane-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1472.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 236.8±3.0 kJ/mol
Flash Point: 844.4±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 271.3±0.3 cm3
#H bond acceptors: 22
#H bond donors: 15
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -4.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 403 Å2
Polarizability: 107.5±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 808.2±3.0 cm3

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