ChemSpider 2D Image | (E)-N-{5-Hydroxy-5-(hydroxymethyl)-2-methoxy-3-[(2-sulfoethyl)amino]-2-cyclohexen-1-ylidene}serine | C13H22N2O9S

(E)-N-{5-Hydroxy-5-(hydroxymethyl)-2-methoxy-3-[(2-sulfoethyl)amino]-2-cyclohexen-1-ylidene}serine

  • Molecular FormulaC13H22N2O9S
  • Average mass382.387 Da
  • Monoisotopic mass382.104614 Da
  • ChemSpider ID40256673

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-N-{5-Hydroxy-5-(hydroxymethyl)-2-methoxy-3-[(2-sulfoethyl)amino]-2-cyclohexen-1-yliden}serin [German] [ACD/IUPAC Name]
(E)-N-{5-Hydroxy-5-(hydroxymethyl)-2-methoxy-3-[(2-sulfoethyl)amino]-2-cyclohexen-1-ylidene}serine [ACD/IUPAC Name]
(E)-N-{5-Hydroxy-5-(hydroxyméthyl)-2-méthoxy-3-[(2-sulfoéthyl)amino]-2-cyclohexén-1-ylidène}sérine [French] [ACD/IUPAC Name]
Serine, N-[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-[(2-sulfoethyl)amino]-2-cyclohexen-1-ylidene]-, (E)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 82.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -3.00
ACD/LogD (pH 5.5): -6.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 68.0±7.0 dyne/cm
Molar Volume: 237.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement