Cas no 15493-35-3 (Streptomycin calcium chloride)
Streptomycin calcium chloride structure
Product Name:Streptomycin calcium chloride
CAS No:15493-35-3
MF:C21H39CaCl2N7O12
MW:692.558062791824
CID:163018
PubChem ID:203927
Update Time:2025-04-19
Streptomycin calcium chloride Chemical and Physical Properties
Names and Identifiers
-
- Streptomycin calcium chloride
- calcium,2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-
- streptomycin calcium chloride (1:1)
- calcium chloride 2,2'-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine (1:2:1)
- Calcium chloride with streptomycin (1:1)
- Streptomycin, compd. with calcium chloride (1:1)
- Calcium chloride--N,N'-[4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-formylpentofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine (1/2/1)
- DTXSID30935098
- 15493-35-3
- calcium;2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;dichloride
-
- Inchi: 1S/C21H39N7O12.Ca.2ClH/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;;;/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);;2*1H/q;+2;;/p-2/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m0.../s1
- InChI Key: VOXYVHZFYZSDDV-CZDSEFAFSA-L
- SMILES: [Ca+2].[Cl-].[Cl-].O([C@H]1[C@@H]([C@@](C=O)([C@H](C)O1)O)O[C@H]1[C@H]([C@@H]([C@H]([C@H](CO)O1)O)O)NC)[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1/N=C(\N)/N)O)/N=C(\N)/N)O)O
Computed Properties
- Exact Mass: 651.8609
- Monoisotopic Mass: 691.1659659g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 43
- Rotatable Bond Count: 9
- Complexity: 940
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 15
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 336?2
Experimental Properties
- PSA: 321.31
Streptomycin calcium chloride Security Information
- Hazardous Material transportation number:3249
- HazardClass:6.1(b)
- PackingGroup:III
Streptomycin calcium chloride Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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