Found 1 result

Search term: 8093149 (Found by CSID)
ChemSpider 2D Image | Ustiloxin B | C26H39N5O12S

Ustiloxin B

  • Molecular FormulaC26H39N5O12S
  • Average mass645.679 Da
  • Monoisotopic mass645.231567 Da
  • ChemSpider ID8093149

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(4S)-5-{[(3R,4S,7S,10S,11R)-4-[(Carboxymethyl)carbamoyl]-3-ethyl-11,15-dihydroxy-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-13-yl]sulfinyl}-4-hydr oxy-L-norvalin [German] [ACD/IUPAC Name]
(4S)-5-{[(3R,4S,7S,10S,11R)-4-[(Carboxymethyl)carbamoyl]-3-ethyl-11,15-dihydroxy-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-13-yl]sulfinyl}-4-hydr oxy-L-norvaline [ACD/IUPAC Name]
(4S)-5-{[(3R,4S,7S,10S,11R)-4-[(Carboxyméthyl)carbamoyl]-3-éthyl-11,15-dihydroxy-3,7-diméthyl-10-(méthylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadéca-1(16),12,14-trién-13-yl]sulfinyl}-4-hydr oxy-L-norvaline [French] [ACD/IUPAC Name]
L-Norvaline, 5-[[(3R,4S,7S,10S,11R)-4-[[(carboxymethyl)amino]carbonyl]-3-ethyl-11,15-dihydroxy-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-13-yl]su lfinyl]-4-hydroxy-, (4S)- [ACD/Index Name]
Ustiloxin B
151841-41-7 [RN]
  • Miscellaneous

    • Chemical Class:

      A heterodetic cyclic peptide with formula C26H39N5O12S produced by Ustilaginoidea virens fungi. It is an inhibitor of microtubule assembly. ChEBI CHEBI:167111

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1133.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 174.9±3.0 kJ/mol
Flash Point: 639.2±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.64
ACD/LogD (pH 5.5): -6.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 306 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 92.3±5.0 dyne/cm
Molar Volume: 419.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement