Found 1 result

Search term: OC(=O)CC[C@@H](NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (4r,22r)-5,21-Dioxo-4,22-Bis({3-[4-(4-Phenylthiophen-2-Yl)phenyl]propanoyl}amino)-10,13,16-Trioxa-6,20-Diazapentacosane-1,25-Dioic Acid | C58H66N4O11S2

(4r,22r)-5,21-Dioxo-4,22-Bis({3-[4-(4-Phenylthiophen-2-Yl)phenyl]propanoyl}amino)-10,13,16-Trioxa-6,20-Diazapentacosane-1,25-Dioic Acid

  • Molecular FormulaC58H66N4O11S2
  • Average mass1059.295 Da
  • Monoisotopic mass1058.416992 Da
  • ChemSpider ID35034001

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,22R)-5,21-Dioxo-4,22-bis({3-[4-(4-phenyl-2-thienyl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosan-1,25-disäure (non-preferred name) [German] [ACD/IUPAC Name]
(4R,22R)-5,21-Dioxo-4,22-bis({3-[4-(4-phenyl-2-thienyl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid (non-preferred name) [ACD/IUPAC Name]
(4r,22r)-5,21-Dioxo-4,22-Bis({3-[4-(4-Phenylthiophen-2-Yl)phenyl]propanoyl}amino)-10,13,16-Trioxa-6,20-Diazapentacosane-1,25-Dioic Acid
Acide (4R,22R)-5,21-dioxo-4,22-bis({3-[4-(4-phényl-2-thiényl)phényl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioïque (non-preferred name) [French] [ACD/IUPAC Name]
L88

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1245.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 194.4±3.0 kJ/mol
Flash Point: 706.9±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 289.4±0.3 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 4
ACD/LogP: 8.04
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 3987.92
ACD/KOC (pH 5.5): 3241.52
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 10.74
ACD/KOC (pH 7.4): 8.73
Polar Surface Area: 275 Å2
Polarizability: 114.7±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 852.0±3.0 cm3

Click to predict properties on the Chemicalize site


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