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Gentamicin C1a pentaacetate salt

CAT: 0862-GA4559-10mgSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0862-GA4559-10mgSize:10 mg
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CAS Number
26098-04-4
HS Code
29419000
Purity
95.00%
Molecular Formula
C29H59N5O17
Molecular Weight
749.8
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Gentamicin C1A

Gentamycin C1a is a gentamycin C. It is a conjugate base of a gentamycin C1a(5+).

CAS Number26098-04-4
PubChem CID72396
IUPAC Name(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Molecular FormulaC19H39N5O7
Molecular Weight449.5
XLogP-5
Topological Polar Surface Area214
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity592
SMILES
C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O
InChI
InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1
InChIKey
VEGXETMJINRLTH-BOZYPMBZSA-N
Chemical Structure
2D Structure
2D structure of Gentamicin C1A
CAS: 26098-04-4
CID: 72396
Formula: C19H39N5O7
MW: 449.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP3-5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass449.28494860
Monoisotopic Mass449.28494860
Topological Polar Surface Area214 Ų
Heavy Atom Count31
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
012765-01Gentamicin C1a Pentaacetate Salt
012764Gentamicin C1 Pentaacetate Salt
sc-207713CGentamicin C2 Pentaacetate Salt
AR-G01682-01Gentamicin C2a Pentaacetate Salt
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