ChemSpider 2D Image | N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[(2E)-5-hydroxy-3-{[(2R)-tetrahydro-2-furanylmethyl]disulfanyl}-2-penten-2-yl]formamide | C17H26N4O3S2

N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[(2E)-5-hydroxy-3-{[(2R)-tetrahydro-2-furanylmethyl]disulfanyl}-2-penten-2-yl]formamide

  • Molecular FormulaC17H26N4O3S2
  • Average mass398.543 Da
  • Monoisotopic mass398.144623 Da
  • ChemSpider ID32787003

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[(1E)-4-hydroxy-1-methyl-2-[[[(2R)-tetrahydro-2-furanyl]methyl]dithio]-1-buten-1-yl]- [ACD/Index Name]
N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[(2E)-5-hydroxy-3-{[(2R)-tetrahydro-2-furanylmethyl]disulfanyl}-2-penten-2-yl]formamid [German] [ACD/IUPAC Name]
N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[(2E)-5-hydroxy-3-{[(2R)-tetrahydro-2-furanylmethyl]disulfanyl}-2-penten-2-yl]formamide [ACD/IUPAC Name]
N-[(4-Amino-2-méthyl-5-pyrimidinyl)méthyl]-N-[(2E)-5-hydroxy-3-{[(2R)-tétrahydro-2-furanylméthyl]disulfanyl}-2-pentén-2-yl]formamide [French] [ACD/IUPAC Name]
212-357-1 [EINECS]
804-30-8 [RN]
CAS-2105-43-3
Fursultiamine [Wiki]
N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[(E)-4-hydroxy-1-methyl-2-[[(2S)-2-tetrahydrofuranyl]methyldisulfanyl]but-1-enyl]formamide
N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[(E)-4-hydroxy-1-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyldisulfanyl]but-1-enyl]formamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5591QCH3FL [DBID]
NCGC00016603-01 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 652.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 348.3±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 12.15
ACD/KOC (pH 5.5): 174.33
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.34
ACD/KOC (pH 7.4): 320.59
Polar Surface Area: 152 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 305.3±3.0 cm3

Click to predict properties on the Chemicalize site


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