ChemSpider 2D Image | Ustiloxin | C28H43N5O12S

Ustiloxin

  • Molecular FormulaC28H43N5O12S
  • Average mass673.732 Da
  • Monoisotopic mass673.262878 Da
  • ChemSpider ID7830998
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(4S)-5-{(R)-[(3R,4S,7S,10S,11R)-4-[(Carboxymethyl)carbamoyl]-3-ethyl-11,15-dihydroxy-7-isopropyl-3-methyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-13-yl]sulf inyl}-4-hydroxy-L-norvalin [German] [ACD/IUPAC Name]
(4S)-5-{(R)-[(3R,4S,7S,10S,11R)-4-[(Carboxymethyl)carbamoyl]-3-ethyl-11,15-dihydroxy-7-isopropyl-3-methyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-13-yl]sulf inyl}-4-hydroxy-L-norvaline [ACD/IUPAC Name]
(4S)-5-{(R)-[(3R,4S,7S,10S,11R)-4-[(Carboxyméthyl)carbamoyl]-3-éthyl-11,15-dihydroxy-7-isopropyl-3-méthyl-10-(méthylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadéca-1(16),12,14-trién-13-yl]sulf inyl}-4-hydroxy-L-norvaline [French] [ACD/IUPAC Name]
L-Norvaline, 5-[(R)-[(3R,4S,7S,10S,11R)-4-[[(carboxymethyl)amino]carbonyl]-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-7-(1-methylethyl)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12 ,14-trien-13-yl]sulfinyl]-4-hydroxy-, (4S)- [ACD/Index Name]
Ustiloxin
143557-93-1 [RN]
Ustiloxin A

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

C08442 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 1119.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.6±3.0 kJ/mol
Flash Point: 630.8±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 163.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.76
ACD/LogD (pH 5.5): -5.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 306 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 86.4±5.0 dyne/cm
Molar Volume: 452.5±5.0 cm3

Click to predict properties on the Chemicalize site






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