3947-65-7

Name (1'R,3'S,3S,5R,6R)-5-AMINO-2-AMINOMETHYL-6-(4,6-DIAMINO-2,3-DIHYDROXY-CYCLOHEXYLOXY)-TETRAHYDRO-PYRAN-3,4-DIOL
CAS 3947-65-7
Molecular Formula C12H26N4O6
MDL Number MFCD03001759
Molecular Weight 322.36
MOL File 3947-65-7.mol

Chemical Properties

Melting point  225.5°C (rough estimate)
alpha  D25+112.8° (c = 1)
Boiling point  460.98°C (rough estimate)
density  1.1885 (rough estimate)
refractive index  1.6120 (estimate)
storage temp.  Hygroscopic, Refrigerator, Under inert atmosphere
solubility  Aqueous Acid (Slightly), Methanol (Slightly, Heated), Water (Slightly)
form  neat
pka 13.24±0.70(Predicted)
color  White to Pale Yellow
Stability: Hygroscopic
InChI InChI=1/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/s3
InChIKey SYJXFKPQNSDJLI-CLPOQDAFNA-N
SMILES [C@@H]1(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@H](O)[C@@H](CN)O1 |&1:0,2,3,6,8,10,12,14,16,18,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313

Hazard Information

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