(R)-2,4-dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutyramide Structure

(R)-2,4-dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutyramide

Chemical Properties

alpha  D20 +12.9° (c = 4.5 in water)
Boiling point 635.0±55.0 °C(Predicted)
Density  1.202±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  Methanol (Slightly), Water (Slightly)
form  Oil
pka 9.75±0.10(Predicted)
color  Pale Yellow to Light Yellow
optical activity [α]/D 17±2°, c = 1 in H2O
BRN  1714196
InChI InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1
InChIKey ZNXZGRMVNNHPCA-VIFPVBQESA-N
SMILES C(NCCC(NCCS)=O)(=O)[C@H](O)C(C)(C)CO
EWG's Food Scores 1
FDA UNII VCH6X4IARE
UNSPSC Code 12352205
NACRES NA.79

Safety

Symbol(GHS) Skull and Crossbones (GHS06)
Signal wordDanger
Hazard statements H301
Precautionary statements P301+P310
Hazard Codes  T
Risk Statements  25
Safety Statements  45
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
Storage Class 11 - Combustible Solids
Toxicity LD50 intraperitoneal in mouse: 440mg/kg

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