Found 12 results

Search term: MF = 'C_{30}H_{51}N_{5}O_{9}'
ChemSpider 2D Image | (2S,5S,8S,11S)-5-(Carboxymethyl)-14-ethyl-2-isobutyl-11-(2-methyl-2-propanyl)-4,7,10,13-tetraoxo-8-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3,6,9,12-tetraazahexadecan-1-oic acid | C30H51N5O9

(2S,5S,8S,11S)-5-(Carboxymethyl)-14-ethyl-2-isobutyl-11-(2-methyl-2-propanyl)-4,7,10,13-tetraoxo-8-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3,6,9,12-tetraazahexadecan-1-oic acid

  • Molecular FormulaC30H51N5O9
  • Average mass625.754 Da
  • Monoisotopic mass625.368652 Da
  • ChemSpider ID449622

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,5S,8S,11S)-11-tert-butyl-5-(carboxymethyl)-14-ethyl-2-(2-methylpropyl)-4,7,10,13-tetraoxo-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3,6,9,12-tetraazahexadecan-1-oic acid (non-preferred name)
(2S,5S,8S,11S)-5-(Carboxymethyl)-14-ethyl-2-isobutyl-11-(2-methyl-2-propanyl)-4,7,10,13-tetraoxo-8-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3,6,9,12-tetraazahexadecan-1-oic acid [ACD/IUPAC Name]
(2S,5S,8S,11S)-5-(Carboxymethyl)-14-ethyl-2-isobutyl-11-(2-methyl-2-propanyl)-4,7,10,13-tetraoxo-8-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3,6,9,12-tetraazahexadecan-1-säure [German] [ACD/IUPAC Name]
Acide (2S,5S,8S,11S)-5-(carboxyméthyl)-14-éthyl-2-isobutyl-11-(2-méthyl-2-propanyl)-4,7,10,13-tétraoxo-8-[2-oxo-2-(1-pyrrolidinyl)éthyl]-3,6,9,12-tétraazahexadécan-1-oïque [French] [ACD/IUPAC Name]
2-(3-Carboxy-2-{2-[2-(2-ethyl-butyrylamino)-3,3-dimethyl-butyrylamino]-4-oxo-4-pyrrolidin-1-yl-butyrylamino}-propionylamino)-4-methyl-pentanoic acid

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

AIDS191875 [DBID]
AIDS-191875 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 974.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.9±6.0 kJ/mol
Flash Point: 543.0±34.3 °C
Index of Refraction: 1.524
Molar Refractivity: 159.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.83
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 522.5±3.0 cm3

Click to predict properties on the Chemicalize site


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