CAS No.23312-56-3,Spectinomycin Sulfate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23312-56-3
Name:	Spectinomycin Sulfate

Formula:	C₁₄H₂₆N₂O₁₁S
Molecular Weight:	430.43
Synonyms:	Spectinomycin sulfate;Trobicin sulfate;
EINECS:	245-578-7
Boiling Point:	583.1 °C at 760 mmHg
Flash Point:	306.4 °C
Solubility:	Soluble in DMSO or water
Appearance:	White crystalline powder
PSA:	212.49000
LogP:	-1.71580

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Specification

The Spectinomycin Sulfate, with the CAS registry number 23312-56-3, is also known as Togamycin sulfate (1:1). Its EINECS number is 245-578-7. This chemical's molecular formula is C₁₄H₂₆N₂O₁₁S and molecular weight is 430.42804. Its systematic name is called (2R,4alphaR,5alphaR,6S,7S,8R,9S,9alphaR,10alphaS)-4alpha,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one sulfate (1:1). This chemical is white crystalline powder.

Physical properties of Spectinomycin Sulfate: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.73; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.39; (9)#H bond acceptors: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Flash Point: 306.4 °C; (13)Enthalpy of Vaporization: 100.06 kJ/mol; (14)Boiling Point: 583.1 °C at 760 mmHg; (15)Vapour Pressure: 5.05E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.O=C1[C@@]2(O[C@@H]3[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@H]3O[C@@H]2O[C@@H](C1)C)O
(2)InChI: InChI=1/C14H24N2O7.H2O4S/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;1-5(2,3)4/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4)/t5-,7-,8+,9+,10+,11-,12-,13+,14+;/m1./s1
(3)InChIKey: XGBFWQUQYQIFLB-MTTMTQIXBS