Ribostamycin

C17H34N4O10 — CID 33042

IUPAC(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
SMILESC1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N
InChIInChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1
InChIKeyNSKGQURZWSPSBC-VVPCINPTSA-N
MW454.50 g/mol
LogP-6.30
Rot. Bonds6

About Ribostamycin

Ribostamycin (PubChem CID 33042) has the molecular formula C17H34N4O10 and a molecular weight of 454.50 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol.

Molecular Properties

Compound NameRibostamycin
PubChem CID33042
Molecular FormulaC17H34N4O10
Molecular Weight454.50 g/mol
Exact Mass454.23
IUPAC Name(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
SMILESC1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N
InChIInChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1
InChIKeyNSKGQURZWSPSBC-VVPCINPTSA-N
XLogP-6.30
TPSA262.00 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms31
Complexity593

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500454.50
LogP ≤ 5-6.30
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

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Related Compounds

Neomycin
CID 8378
Kanamycin
CID 6032
Tobramycin
CID 36294
Paromomycin
CID 165580
Neamine
CID 72392
Paromomycin Sulfate
CID 441375
Kanamycin A Sulfate
CID 441374
Kanamycin B
CID 439318
Neomycin Sulfate
CID 197162
Hygromycin B
CID 56928061
Dibekacin
CID 470999
Lividomycin A
CID 72394

Frequently Asked Questions

What is the IUPAC name of Ribostamycin?
The IUPAC name of Ribostamycin (CID 33042) is (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol.
What is the SMILES notation for Ribostamycin?
The canonical SMILES for Ribostamycin is C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N.
What is the InChIKey of Ribostamycin?
The InChIKey is NSKGQURZWSPSBC-VVPCINPTSA-N. The full InChI is InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1.
What are the key properties of Ribostamycin?
Ribostamycin has a molecular weight of 454.50 g/mol, XLogP of -6.30, 6 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for Ribostamycin is sourced from PubChem (CID 33042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).