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

C24H47N3O13 — CID 163574219

IUPAC(3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(O[C@@H]1C(CO)O[C@@H](O)C(N)C1O)[C@@H]1OC(CO)C(OC(C)(C)[C@@H]2OC(CO)[C@@H](O)C(O)C2N)C(O)C1N
InChIInChI=1S/C24H47N3O13/c1-23(2,20-11(25)15(32)14(31)8(5-28)36-20)39-18-9(6-29)37-21(12(26)16(18)33)24(3,4)40-19-10(7-30)38-22(35)13(27)17(19)34/h8-22,28-35H,5-7,25-27H2,1-4H3/t8?,9?,10?,11?,12?,13?,14-,15?,16?,17?,18?,19-,20-,21-,22-/m1/s1
InChIKeyGCAKSTMKCRNZRM-AUOWRRHESA-N
MW585.65 g/mol
LogP-6.03
Rot. Bonds9

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

(3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 163574219) has the molecular formula C24H47N3O13 and a molecular weight of 585.65 g/mol. Its IUPAC name is (3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID163574219
Molecular FormulaC24H47N3O13
Molecular Weight585.65 g/mol
Exact Mass585.31
IUPAC Name(3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(O[C@@H]1C(CO)O[C@@H](O)C(N)C1O)[C@@H]1OC(CO)C(OC(C)(C)[C@@H]2OC(CO)[C@@H](O)C(O)C2N)C(O)C1N
InChIInChI=1S/C24H47N3O13/c1-23(2,20-11(25)15(32)14(31)8(5-28)36-20)39-18-9(6-29)37-21(12(26)16(18)33)24(3,4)40-19-10(7-30)38-22(35)13(27)17(19)34/h8-22,28-35H,5-7,25-27H2,1-4H3/t8?,9?,10?,11?,12?,13?,14-,15?,16?,17?,18?,19-,20-,21-,22-/m1/s1
InChIKeyGCAKSTMKCRNZRM-AUOWRRHESA-N
XLogP-6.03
TPSA286.05 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500585.65
LogP ≤ 5-6.03
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-(hydroxymethyl)-6-(2-methoxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 155283405
(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011
2-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
CID 22885878
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfane
CID 174539806
actinium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58582833
(2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride
CID 159661735
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrofluoride
CID 139962183
(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

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol (CID 163574219) is (3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol is CC(C)(O[C@@H]1C(CO)O[C@@H](O)C(N)C1O)[C@@H]1OC(CO)C(OC(C)(C)[C@@H]2OC(CO)[C@@H](O)C(O)C2N)C(O)C1N.
What is the InChIKey of (3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is GCAKSTMKCRNZRM-AUOWRRHESA-N. The full InChI is InChI=1S/C24H47N3O13/c1-23(2,20-11(25)15(32)14(31)8(5-28)36-20)39-18-9(6-29)37-21(12(26)16(18)33)24(3,4)40-19-10(7-30)38-22(35)13(27)17(19)34/h8-22,28-35H,5-7,25-27H2,1-4H3/t8?,9?,10?,11?,12?,13?,14-,15?,16?,17?,18?,19-,20-,21-,22-/m1/s1.
What are the key properties of (3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol?
(3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 585.65 g/mol, XLogP of -6.03, 9 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-5-amino-6-[2-[(6R)-5-amino-6-[2-[(3S,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 163574219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).