CAS No.41194-16-5,Apramycin sulfate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41194-16-5
Name:	Apramycin sulfate
Article Data:	3

Formula:	C₂₁H₄₁N₅O₁₁^.H₂SO₄
Molecular Weight:	637.66
Synonyms:	5-Amino-2-[[9-amino-8-(4,6-diamino-2,3-dihydroxy-cyclohexoxy)-5-hydroxy-4-methylamino-2,7-dioxabicyclo[4.4.0]dec-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4-diol sulfate;D-Streptamine, O-4-amino-4-deoxy-α-D-glucopyranosyl-(1-8)-O-(8R)-2-amino-2,3,7-trideoxy-7-(methylamino)-D-glycero-α-D-allo-octadialdo-1,5:8,4-dipyranosyl-(1-4)-2-deoxy-, sulfate (salt);(2R,3S,4R,4aR,6S,7R,8aS)-7-Amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl 4-amino-4-deoxy-α-D-glucopyranoside sulfate (1:1);(2R,3R,4S,5S,6S)-5-Amino-2-{[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol sulfate (1:1) (non-preferred name);
EINECS:	265-890-7
Boiling Point:	823 °C at 760 mmHg
Flash Point:	451.6 °C
Hazard Symbols:	R61:; R35:;
Risk Codes:	T:Toxic; "> T:Toxic;
PSA:	366.62000
LogP:	-3.32920

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Specification

The CAS register number of Apramycin sulfate is 41194-16-5. It also can be called as 5-Amino-2-[[9-amino-8-(4,6-diamino-2,3-dihydroxy-cyclohexoxy)-5-hydroxy-4-methylamino-2,7-dioxabicyclo[4.4.0]dec-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4-diol sulfate and the systematic name about this chemical is (2R,3R,4S,5S,6S)-5-amino-2-{[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl]oxy}-6-(hydroxymet hyl)tetrahydro-2H-pyran-3,4-diol sulfate (salt) (non-preferred name). The molecular formula about this chemical is C₂₁H₄₁N₅O₁₁^.H₂SO₄and the molecular weight is 637.66.

Physical properties about Apramycin sulfate are: (1)ACD/LogP: -2.45; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -9.36; (4)ACD/LogD (pH 7.4): -6.59; (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): 1; (9)#H bond acceptors: 16; (10)#H bond donors: 15; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 117.73Å²; (13)Flash Point: 451.6 °C; (14)Enthalpy of Vaporization: 136.14 kJ/mol; (15)Boiling Point: 823 °C at 760 mmHg; (16)Vapour Pressure: 2.11E-31 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.O3[C@H](O[C@H]1O[C@H](CO)[C@@H](N)[C@H](O)[C@H]1O)[C@@H](NC)[C@@H](O)[C@H]4O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)C[C@H]34
(2)InChI: InChI=1/C21H41N5O11.H2O4S/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31;1-5(2,3)4/h5-21,26-32H,2-4,22-25H2,1H3;(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-;/m1./s1
(3)InChIKey: WGLYHYWDYPSNPF-RQFIXDHTBJ
(4)Std. InChI: InChI=1S/C21H41N5O11.H2O4S/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31;1-5(2,3)4/h5-21,26-32H,2-4,22-25H2,1H3;(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19+,20-,21-;/m1./s1
(5)Std. InChIKey: WGLYHYWDYPSNPF-RQFIXDHTSA-N