(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

C23H41N5O13 — CID 141498103

IUPAC(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESN[C@H]1[C@H](OC2[C@@H](CO)O[C@@H](OC3[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]3O)[C@H](NCCn3ccnc3)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H41N5O13/c24-12-17(34)19(10(6-30)37-21(12)36)41-23-14(27-2-4-28-3-1-26-8-28)18(35)20(11(7-31)39-23)40-22-13(25)16(33)15(32)9(5-29)38-22/h1,3,8-23,27,29-36H,2,4-7,24-25H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19?,20?,21-,22+,23+/m1/s1
InChIKeyOFHVBRTVFXKUHR-RBYNRYBUSA-N
MW595.60 g/mol
LogP-7.15
Rot. Bonds11

About (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 141498103) has the molecular formula C23H41N5O13 and a molecular weight of 595.60 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID141498103
Molecular FormulaC23H41N5O13
Molecular Weight595.60 g/mol
Exact Mass595.27
IUPAC Name(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESN[C@H]1[C@H](OC2[C@@H](CO)O[C@@H](OC3[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]3O)[C@H](NCCn3ccnc3)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H41N5O13/c24-12-17(34)19(10(6-30)37-21(12)36)41-23-14(27-2-4-28-3-1-26-8-28)18(35)20(11(7-31)39-23)40-22-13(25)16(33)15(32)9(5-29)38-22/h1,3,8-23,27,29-36H,2,4-7,24-25H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19?,20?,21-,22+,23+/m1/s1
InChIKeyOFHVBRTVFXKUHR-RBYNRYBUSA-N
XLogP-7.15
TPSA289.88 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500595.60
LogP ≤ 5-7.15
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Analyze (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

(3S,4S,6S)-5-amino-6-[(3S,4S,6S)-5-amino-6-[(3S,4S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 121391399
(2S,3R,4R,5R,6R)-5-amino-6-[(2S,3R,4R,5R,6R)-5-amino-6-[(2S,3R,4R,5R,6R)-5-amino-6-[(2S,3R,4R,5R,6R)-5-amino-6-[(2R,3S,4S,5S,6S)-5-amino-6-[(2R,3S,4S,5S,6S)-5-amino-6-[(2R,3S,4S,5S,6S)-5-amino-6-[(2R,3R,4S,5S,6S)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 102243342
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91858083
(2S,3S,4R,5R,6S)-5-amino-6-[(2S,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 95048640
(3S,5S,6S)-5-amino-6-[(3S,6S)-5-amino-6-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 163940061
5-amino-6-[5-amino-6-[5-amino-6-[5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;pentahydrochloride
CID 170920307
5-amino-6-[5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methane
CID 172874991
5-amino-6-[5-amino-6-[5-amino-6-[6-[6-[6-[5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 155886453
dioxotitanium;methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 174893079
(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91856693
(2R,3S,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 125039780
(2S,5R)-2-[(3S,6S)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70927564

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (CID 141498103) is (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is N[C@H]1[C@H](OC2[C@@H](CO)O[C@@H](OC3[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]3O)[C@H](NCCn3ccnc3)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is OFHVBRTVFXKUHR-RBYNRYBUSA-N. The full InChI is InChI=1S/C23H41N5O13/c24-12-17(34)19(10(6-30)37-21(12)36)41-23-14(27-2-4-28-3-1-26-8-28)18(35)20(11(7-31)39-23)40-22-13(25)16(33)15(32)9(5-29)38-22/h1,3,8-23,27,29-36H,2,4-7,24-25H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19?,20?,21-,22+,23+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 595.60 g/mol, XLogP of -7.15, 11 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2-imidazol-1-ylethylamino)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 141498103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).