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N-Boc Tobramycin

CAT: 0572-TRC-T523995-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T523995-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66266-14-6
Synonyms
O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-[2-amino-2,3,6-trideoxy-6-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-D-ribo-hexopyranosyl-(1-4)]-2-deoxy-D-streptamine;
Hazard Statement
No Data Available
Smiles
CC(C)(C)OC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O
Molecular Formula
C23H45N5O11
Molecular Weight
567.63
Shipping Conditions
Room Temperature

Chemical Information

N-Boc Tobramycin
CAS Number66266-14-6
PubChem CID169447183
IUPAC Nametert-butyl N-[[(2R,3S,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3-hydroxyoxan-2-yl]methyl]carbamate
Molecular FormulaC23H45N5O11
Molecular Weight567.6
XLogP-4.6
Topological Polar Surface Area280
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity807
SMILES
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N)O
InChI
InChI=1S/C23H45N5O11/c1-23(2,3)39-22(34)28-6-12-11(30)5-10(26)20(35-12)37-18-8(24)4-9(25)19(17(18)33)38-21-16(32)14(27)15(31)13(7-29)36-21/h8-21,29-33H,4-7,24-27H2,1-3H3,(H,28,34)/t8-,9+,10+,11-,12+,13+,14-,15+,16+,17-,18+,19-,20+,21+/m0/s1
InChIKey
LEZCDKLNLRLXIJ-YJDUPYBASA-N
Chemical Structure
2D Structure
2D structure of N-Boc Tobramycin
CAS: 66266-14-6
CID: 169447183
Formula: C23H45N5O11
MW: 567.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.6
XLogP3-4.6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass567.31155727
Monoisotopic Mass567.31155727
Topological Polar Surface Area280 Ų
Heavy Atom Count39
Formal Charge0
Complexity807
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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