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101651-86-9

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Basic Information
CAS No.: 101651-86-9
Name: kasugamycin phosphate
Molecular Structure:
Molecular Structure of 101651-86-9 (kasugamycin phosphate)
Formula: C14H25N3O9•xH3O4P
Molecular Weight: 1065.42
Synonyms: kasugamycin phosphate
Density: 1.97g/cm3
Boiling Point: 628.2°Cat760mmHg
Flash Point: 333.7°C
Hazard Symbols:
Safety: Mildly toxic by ingestion and intravenous routes. When heated to decomposition it emits very toxic fumes of POx and NOx. See also KASUGAMYCIN; KASUGAMYCIN HYDROCHLORIDE; KASUGAMYCIN SULFATE.
PSA: 308.88000
LogP: -4.06570
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Chemistry

Empirical Formula of Kasugamycin phosphate (CAS NO.101651-86-9): C14H28N3O13P
Molecular Weight: 477.3582 g/mol
Flash Point: 333.7 °C
Enthalpy of Vaporization: 106.54 kJ/mol
Boiling Point: 628.2 °C at 760 mmHg
Vapour Pressure: 2.04E-18 mmHg at 25 °C
Structure of Kasugamycin phosphate (CAS NO.101651-86-9):
                        
IUPAC Name: 2-Amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid ; Phosphoric acid
Canonical SMILES: CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N.OP(=O)(O)O
Isomeric SMILES: C[C@@H]1[C@H](C[C@@H]([C@H](O1)OC2[C@@H]([C@H](C([C@@H]([C@@H]2O)OO)O)O)N)N=C(C(=O)O)N.OP(=O)(O)O
InChI: InChI=1S/C14H25N3O9.H3O4P/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;1-5(2,3)4/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);(H3,1,2,3,4)/t3-,4+,5+,6?,7+,8+,9-,10+,11?,14-;/m1./s1
InChIKey: RBXKKZZNSAFMKD-YZKQBBCCSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:21 g/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.
2.    

ipr-mus LD50:12,500 mg/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.
3.    

scu-mus LD50:13,500 mg/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.
4.    

ivn-mus LD50:5400 mg/kg

     JJANAX    Japanese Journal of Antibiotics. 21 (1968),206.

Safety Profile

Mildly toxic by ingestion and intravenous routes. When heated to decomposition Kasugamycin phosphate (CAS NO.101651-86-9) emits very toxic fumes of POx and NOx. See also KASUGAMYCIN; KASUGAMYCIN HYDROCHLORIDE; KASUGAMYCIN SULFATE.

Specification

 Kasugamycin phosphate , its cas register number is 101651-86-9. It also can be called D-chiro-Inositol, 3-O-(2-amino-4-((carboxyiminomethyl)amino)-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranosyl)-, phosphate .