ChemSpider 2D Image | S-[(2Z)-2-{Formyl[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]amino}-5-hydroxy-2-penten-3-yl] (2Z)-2-{formyl[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]amino}-5-hydroxy-2-pentene-3-sulfinot hioate | C24H32N6O7S2

S-[(2Z)-2-{Formyl[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]amino}-5-hydroxy-2-penten-3-yl] (2Z)-2-{formyl[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]amino}-5-hydroxy-2-pentene-3-sulfinot hioate

  • Molecular FormulaC24H32N6O7S2
  • Average mass580.677 Da
  • Monoisotopic mass580.177368 Da
  • ChemSpider ID2300121

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{Formyl[(2-méthyl-6-oxo-1,6-dihydro-5-pyrimidinyl)méthyl]amino}-5-hydroxy-2-pentène-3-sulfinothioate de S-[(2Z)-2-{formyl[(2-méthyl-6-oxo-1,6-dihydro-5-pyrimidinyl)méthyl]amino}-5-hydroxy-2-pen tén-3-yle] [French] [ACD/IUPAC Name]
2-Pentene-3-sulfinothioic acid, 2-[[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]formylamino]-5-hydroxy-, S-[(1Z)-2-[[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethy l)-1-propen-1-yl] ester, (2Z)- [ACD/Index Name]
S-[(2Z)-2-{Formyl[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]amino}-5-hydroxy-2-penten-3-yl] (2Z)-2-{formyl[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]amino}-5-hydroxy-2-pentene-3-sulfinot hioate [ACD/IUPAC Name]
S-[(2Z)-2-{Formyl[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]amino}-5-hydroxy-2-penten-3-yl]-(2Z)-2-{formyl[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]amino}-5-hydroxy-2-penten-3-sulfinoth ioat [German] [ACD/IUPAC Name]
129228-57-5 [RN]
OTDMS
Oxythiamine disulfide monosulfoxide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 149.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.69
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.96
Polar Surface Area: 226 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 62.0±7.0 dyne/cm
Molar Volume: 405.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement