ChemSpider 2D Image | Rigosertib | C21H25NO8S

Rigosertib

  • Molecular FormulaC21H25NO8S
  • Average mass451.490 Da
  • Monoisotopic mass451.130096 Da
  • ChemSpider ID57579129

More details:

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

2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]anilino]acetic acid
592542-59-1 [RN]
Glycine, N-[2-methoxy-5-[[[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl]methyl]phenyl]- [ACD/Index Name]
N-[2-Methoxy-5-({[2-(2,4,6-trimethoxyphenyl)vinyl]sulfonyl}methyl)phenyl]glycin [German] [ACD/IUPAC Name]
N-[2-Methoxy-5-({[2-(2,4,6-trimethoxyphenyl)vinyl]sulfonyl}methyl)phenyl]glycine [ACD/IUPAC Name]
N-[2-Méthoxy-5-({[2-(2,4,6-triméthoxyphényl)vinyl]sulfonyl}méthyl)phényl]glycine [French] [ACD/IUPAC Name]
Rigosertib [INN] [USAN]
(E)-2-((2-Methoxy-5-(((2,4,6-triMethoxystyryl)sulfonyl)Methyl)phenyl)aMino)acetic acid;3: PN: WO2006074149 PAGE: 45 claiMed sequence; ON 01910; Rigosertib
[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetic acid
N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine
  • Miscellaneous

    • Chemical Class:

      A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group. ChEBI CHEBI:124939

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

Density: 1.3±0.1 g/cm3
Boiling Point: 756.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 411.1±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 114.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 18.40
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 338.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement