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64058-48-6

Basic Information
CAS No.: 64058-48-6
Name: Spectinomycin sulfate tetrahydrate
Molecular Structure:
Molecular Structure of 64058-48-6 (Spectinomycin sulfate tetrahydrate)
Formula: C14H34N2O15S
Molecular Weight: 502.4892
Synonyms: Spectinomycin, tetrahydrate, sulfate;Actinospectacin, tetrahydrate, sulfate;Trobicin sulfate;U-18409E;Spectinomycin, sulfate, tetrahydrate;Spectinomycin sulfate (EP);SPECINOMYCIN DI PENTA SULPHATE;Spectinomycin  Sulfate;SPECTINOMCIN SULFATE;? Spectinomycin sulphate;
EINECS: 613-422-0
Melting Point: ~185° (dec)
Boiling Point: 583.1 °C at 760 mmHg
Flash Point: 306.4 °C
Appearance: White crystalline
PSA: 229.18000
LogP: -1.29300
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  • 64058-48-6  CAS NO.64058-48-6

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 CAS 64058-48-6

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    Manufacturer of Spectinomycin sulfate tetrahydrate at Factory Price CAS 64058-48-6

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Specification

The Spectinomycin sulfate tetrahydrate, with the CAS registry number 64058-48-6, has the systematic name of (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one sulfate hydrate (1:1:4). And the molecular formula of this chemical is C14H34N2O15S.

The physical properties of Spectinomycin sulfate tetrahydrate are as following: (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)Polar Surface Area: 78.93 Å2; (13)Flash Point: 306.4 °C; (14)Enthalpy of Vaporization: 100.06 kJ/mol; (15)Boiling Point: 583.1 °C at 760 mmHg; (16)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.O.O.O.O
(2)InChI: InChI=1/C14H24N2O7.H2O4S.4H2O/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);4*1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;;;;/m1...../s1
(3)InChIKey: OBZDRKHRQYPQDZ-SACNDDTHBO

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3867mg/kg (3867mg/kg)   "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.
mouse LD50 intravenous 1022mg/kg (1022mg/kg)   "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.
rat LD50 oral > 5gm/kg (5000mg/kg)   "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.

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