ChemSpider 2D Image | 5-({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}sulfinyl)-4-hydroxynorvaline | C28H43N5O12S

5-({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}sulfinyl)-4-hydroxynorvaline

  • Molecular FormulaC28H43N5O12S
  • Average mass673.732 Da
  • Monoisotopic mass673.262878 Da
  • ChemSpider ID3678075

More details:

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

5-({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}sulfinyl)-4-hydroxynorvalin [German] [ACD/IUPAC Name]
5-({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}sulfinyl)-4-hydroxynorvaline [ACD/IUPAC Name]
5-({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}sulfinyl)-4-hydroxynorvaline [French] [ACD/IUPAC Name]
Norvaline, 5-[[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- [ACD/Index Name]
(4S)-5-{[(3R,4R,7S,10S,11S)-4-[(CARBOXYMETHYL)CARBAMOYL]-3-ETHYL-11,15-DIHYDROXY-3-METHYL-10-(METHYLAMINO)-6,9-DIOXO-7-(PROPAN-2-YL)-2-OXA-5,8-DIAZABICYCLO[10.3.1]HEXADECA-1(16),12,14-TRIEN-13-YL]SULFINYL}-4-HYDROXY-L-NORVALINE
170031-78-4 [RN]
2-amino-5-[4-(carboxymethylcarbamoyl)-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-ylsulfinyl]-4-hydroxypentanoic acid
Ustiloxin A

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

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


Advertisement