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6-Deoxyparomomycin

CAT: 0013-GTR19255405-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255405-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
6-Deoxyparomomycin exhibits antibacterial activity.
CAS Number
61430-99-7
Field of Research
Infectious Disease & Virology
Smiles
OCC1OC (OC2C (OC3OC (CO) C (OC4OC (CN) C (O) C (O) C4N) C3O) CC (N) CC2N) C (N) C (O) C1O
Molecular Formula
C23H45N5O13
Molecular Weight
599.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CAS Number61430-99-7
PubChem CID70866219
IUPAC Name5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
Molecular FormulaC23H45N5O13
Molecular Weight599.6
XLogP-7.8
Topological Polar Surface Area327
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity839
SMILES
C1C(CC(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)N
InChI
InChI=1S/C23H45N5O13/c24-3-9-14(31)16(33)12(27)21(37-9)41-20-11(5-30)39-23(18(20)35)36-8-2-6(25)1-7(26)19(8)40-22-13(28)17(34)15(32)10(4-29)38-22/h6-23,29-35H,1-5,24-28H2
InChIKey
AQAVLWBEEHYBHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CAS: 61430-99-7
CID: 70866219
Formula: C23H45N5O13
MW: 599.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight599.6
XLogP3-7.8
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Exact Mass599.30138651
Monoisotopic Mass599.30138651
Topological Polar Surface Area327 Ų
Heavy Atom Count41
Formal Charge0
Complexity839
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count18
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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