ChemSpider 2D Image | S-{(7Z)-12-[(2E)-8-(2,6-Dioxo-4-piperidinyl)-7-hydroxy-4-methyl-5-oxo-2-octen-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxooxacyclododec-7-en-4-yl}cysteine | C30H46N2O10S

S-{(7Z)-12-[(2E)-8-(2,6-Dioxo-4-piperidinyl)-7-hydroxy-4-methyl-5-oxo-2-octen-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxooxacyclododec-7-en-4-yl}cysteine

  • Molecular FormulaC30H46N2O10S
  • Average mass626.759 Da
  • Monoisotopic mass626.287292 Da
  • ChemSpider ID78444425

  • Double-bond stereo - Double-bond stereo

More details:

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

Cysteine, S-[(7Z)-12-[(1E)-7-(2,6-dioxo-4-piperidinyl)-6-hydroxy-1,3-dimethyl-4-oxo-1-hepten-1-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxooxacyclododec-7-en-4-yl]- [ACD/Index Name]
S-{(7Z)-12-[(2E)-8-(2,6-Dioxo-4-piperidinyl)-7-hydroxy-4-methyl-5-oxo-2-octen-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxooxacyclododec-7-en-4-yl}cystein [German] [ACD/IUPAC Name]
S-{(7Z)-12-[(2E)-8-(2,6-Dioxo-4-piperidinyl)-7-hydroxy-4-methyl-5-oxo-2-octen-2-yl]-10-hydroxy-9-methoxy-11-methyl-2-oxooxacyclododec-7-en-4-yl}cysteine [ACD/IUPAC Name]
S-{(7Z)-12-[(2E)-8-(2,6-Dioxo-4-pipéridinyl)-7-hydroxy-4-méthyl-5-oxo-2-octén-2-yl]-10-hydroxy-9-méthoxy-11-méthyl-2-oxooxacyclododéc-7-én-4-yl}cystéine [French] [ACD/IUPAC Name]
NK30424A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 873.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.3±6.0 kJ/mol
Flash Point: 482.3±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 160.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 485.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement