Didrothenat

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-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid

Also Known As: Didrothenat|Panthomycin|Dihydrostreptomycin pantothenate|DHS-pantothenat [German]|DSM-pantothenat [German]|3563-84-6{pantothenate}|EINECS 222-637-5|Streptomycin, dihydro-, pantothenate|Streptomycin, dihydro-, D-pantothenate (salt)|Pantothenic acid, D-, compd. with dihydrostreptomycin (1:1)|PANTOTHENIC ACID, D-, COMPD. WITH DIHYDROSTREPTOMYCIN|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-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine; 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid|222-637-5|beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-, compd. with O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1->2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1->4)-N,N'-bis(aminoiminomethyl)-D-streptamine|beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-, compd. with O-2-deoxy-2-(methylamino)-alpha-l-glucopyranosyl-(1.2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-l-lyxofuranosyl-(1.4)-N,N'-bis(aminoiminomethyl)-d-streptamine|N-(1,2,4-Trihydroxy-3,3-dimethylbutylidene)-beta-alanine--N,N'-[4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine (1/1)|N-[(2R)-1,2,4-Trihydroxy-3,3-dimethylbutylidene]-beta-alanine--N,N'-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine (1/1)

Molecular Formula	C30H58N8O17
Molecular Weight	802.39197 g/mol
LogP	-9.41
Topological Polar Surface Area	446.45 Ų
Hydrogen Bond Donors	17
Hydrogen Bond Acceptors	19
Rotatable Bonds	15
Exact Mass	802.39197
Heavy Atoms	55
Complexity	1309.6

Chemical Identifiers

CAS Number	3563-84-6
SMILES	C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(CO)O.CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O