Found 1 result

Search term: 128438365 (Found by CSID)
ChemSpider 2D Image | [(3S,6S,9S,12S,15S,21S,24S,27R,33aS)-12-[(2S)-2-Butanyl]-3,6,15,21,27-pentaisopropyl-24-(4-methoxybenzyl)-2,8,11,14,20-pentamethyl-1,4,7,10,13,16,19,22,25,28-decaoxodotriacontahydropyrido[1,2-d][1,4,7 ,10,13,16,19,22,25,28]oxanonaazacyclotriacontin-9-yl]acetic acid | C58H93N9O14

[(3S,6S,9S,12S,15S,21S,24S,27R,33aS)-12-[(2S)-2-Butanyl]-3,6,15,21,27-pentaisopropyl-24-(4-methoxybenzyl)-2,8,11,14,20-pentamethyl-1,4,7,10,13,16,19,22,25,28-decaoxodotriacontahydropyrido[1,2-d][1,4,7 ,10,13,16,19,22,25,28]oxanonaazacyclotriacontin-9-yl]acetic acid

  • Molecular FormulaC58H93N9O14
  • Average mass1140.411 Da
  • Monoisotopic mass1139.684204 Da
  • ChemSpider ID128438365

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(3S,6S,9S,12S,15S,21S,24S,27R,33aS)-12-[(2S)-2-Butanyl]-3,6,15,21,27-pentaisopropyl-24-(4-methoxybenzyl)-2,8,11,14,20-pentamethyl-1,4,7,10,13,16,19,22,25,28-decaoxodotriacontahydropyrido[1,2-d][1,4,7 ,10,13,16,19,22,25,28]oxanonaazacyclotriacontin-9-yl]acetic acid [ACD/IUPAC Name]
[(3S,6S,9S,12S,15S,21S,24S,27R,33aS)-12-[(2S)-2-Butanyl]-3,6,15,21,27-pentaisopropyl-24-(4-methoxybenzyl)-2,8,11,14,20-pentamethyl-1,4,7,10,13,16,19,22,25,28-decaoxodotriacontahydropyrido[1,2-d][1,4,7 ,10,13,16,19,22,25,28]oxanonaazacyclotriacontin-9-yl]essigsäure [German] [ACD/IUPAC Name]
Acide [(3S,6S,9S,12S,15S,21S,24S,27R,33aS)-12-[(2S)-2-butanyl]-3,6,15,21,27-pentaisopropyl-24-(4-méthoxybenzyl)-2,8,11,14,20-pentaméthyl-1,4,7,10,13,16,19,22,25,28-décaoxodotriacontahydropyrido[1,2-d] [1,4,7,10,13,16,19,22,25,28]oxanonaazacyclotriacontin-9-yl]acétique [French] [ACD/IUPAC Name]
Pyrido[1,2-d][1,4,7,10,13,16,19,22,25,28]oxanonaazacyclotriacontine-9-acetic acid, dotriacontahydro-24-[(4-methoxyphenyl)methyl]-2,8,11,14,20-pentamethyl-3,6,15,21,27-pentakis(1-methylethyl)-12-[(1S)- 1-methylpropyl]-1,4,7,10,13,16,19,22,25,28-decaoxo-, (3S,6S,9S,12S,15S,21S,24S,27R,33aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1290.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 202.6±3.0 kJ/mol
Flash Point: 734.5±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 303.7±0.4 cm3
#H bond acceptors: 23
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.33
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 282 Å2
Polarizability: 120.4±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 931.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement